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CAS No. : | 117106-20-4 | MDL No. : | MFCD02094431 |
Formula : | C24H29NO5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VIUVLZHFMIFLHU-VFNWGFHPSA-N |
M.W : | 411.49 | Pubchem ID : | 7010372 |
Synonyms : |
|
Chemical Name : | (2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tert-butoxy)butanoic acid |
Num. heavy atoms : | 30 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.42 |
Num. rotatable bonds : | 9 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 115.23 |
TPSA : | 76.07 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -5.87 cm/s |
Log Po/w (iLOGP) : | 3.33 |
Log Po/w (XLOGP3) : | 4.14 |
Log Po/w (WLOGP) : | 4.52 |
Log Po/w (MLOGP) : | 2.83 |
Log Po/w (SILICOS-IT) : | 3.56 |
Consensus Log Po/w : | 3.68 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -4.7 |
Solubility : | 0.00818 mg/ml ; 0.0000199 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -5.44 |
Solubility : | 0.00148 mg/ml ; 0.00000359 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -5.49 |
Solubility : | 0.00132 mg/ml ; 0.00000321 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 3.0 |
Synthetic accessibility : | 4.61 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.58 g | With 1-hydroxy-7-aza-benzotriazole; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20℃; for 5h;Cooling with ice; | Prep.95 To a solution of the object compound of Prep.166 below (1.20 g), (2S,3R)-3-tert-butoxy-2-([(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid (527 mg), and HOAt (174 mg) in CH2Cl2 (20 ml) was added a solution of WSCD (199 mg) in CH2Cl2 (1 ml) under ice-bath cooling. After being stirred at the same temperature for 1 hr and at room temperature for 4 hrs, the reaction solution was concentrated in vacuo. The residue was dissolved in AcOEt (50 ml) and the solution was washed with 0.5N HCl, 1M NaHCO3, and brine, dried over MgSO4, and concentrated in vacuo. The resulting residue was purified by Silica-gel column (eluent: 2% MeOH in CHCl3) to give methyl (5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-5-(1-tert-butoxyethyl)-1-(9H-fluoren-9-yl)-32-[(1R)-1-hydroxyethyl]-29-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-8,11,20,23-tetraisobutyl-26-isopropyl-4,10,14,17,19,25,28,34-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-2-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazahexatriacontan-36-oate (1.58 g) as an amorphous powder. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.6 g | With 1-hydroxy-7-aza-benzotriazole; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20℃; for 5h;Cooling with ice; | Prep.93 To a solution of the object compound of Prep.3 (1.20 g), <strong>[117106-20-4](2S,3R)-3-tert-butoxy-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid</strong> (516 mg), and HOAt (171 mg) in CH2Cl2 (20 ml) was added a solution of WSCD (195 mg) in CH2Cl2 (1 ml) under ice-bath cooling. After being stirred at the same temperature for 1 hr and at room temperature for 4 hrs, the reaction solution was concentrated in vacuo. The residue was dissolved in AcOEt (50 ml) and the solution was washed with 0.5N HCl, 1M NaHCO3, and brine, dried over MgSO4, and concentrated in vacuo to give methyl (5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-5-(1-tert-butoxyethyl)-1-(9H-fluoren-9-yl)-32-[(1R)-1-hydroxyethyl]-29-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-8,11,20,23-tetraisobutyl-26-isopropyl-4,10,14,17,19,25,28-heptamethyl-3,6,9,12,15,18,21,24,27,30-decaoxo-2-oxa-4,7,10,13,16,19,22,25,28,31-decaazatritriacontan-33-oate (1.6 g) as an amorphous powder. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
General procedure: Tetrapeptides 3a-d were synthesized by manual solid-phase peptide synthesis (SPPS) using 2-chlorotritylchloride polymer resin (2-CTC, 1.63mmol/g) in a 10-mL disposable syringe fitted with a porous polyethylene filter and N-terminal fluorenylmethyloxycarbonyl-protected amino acids. Coupling of the first amino acid: Fmoc-propargyl-Gly-OH (0.8 eq.) to the 2-CTC resin (1.0 eq.) was performed in anhydrous DCM (7.5mL) in the presence of DIEA (3.0 eq.) with shaking at room temperature for 2h. Then, MeOH (2mL) was added to cap the unreacted resin and the mixture was shaken for 30min. The resin was filtered, washed with several portions of DCM, DMF and again DCM and dried under high vacuum, overnight. Loading of the starting material was calculated via increase in dry weight. Next, the resin swelling was performed in DMF for 20min, Fmoc protecting group was removed by treatment with 20% piperidine in DMF (2×3mL, 5+20min) and the polymer was washed with DMF (5×3mL, 5×2min). Then, coupling of the appropriate amino acid: Fmoc-AA-OH (4.0 eq.) was performed in DMF (3mL) using HBTU (4.0 eq.), in the presence of DIEA (8.0 eq.) with shaking at room temperature. In the case of Fmoc-Ala-OH for 4h, with Fmoc-Orn(Boc)-OH, Fmoc-Thr (tBu)-OH and Fmoc-N-Me-Thr (tBu)-OH overnight and with Fmoc-Arg (Pbf)-OH and Fmoc-His (Trt)-OH the double coupling was performed (after 2h the resin was washed with DMF and treated with a freshly made solution of Fmoc-AA-OH, HBTU and DIEA in DMF and shaken for 2h). After each coupling, the resin was washed with DMF (4×4mL) and subsequently de-protected and washed as described above. At the end of the coupling cycle the resin was washed with several portions of DMF, MeOH and DCM and dried under high vacuum, overnight. Method (A) for coupling of the tail via HBTU activation: The coupling of the tails at the N-terminus of the synthesized tetrapeptides was performed using the acid (4 eq.) in DMF (2mL), in the presence of DIEA (8 eq.) and HBTU (4 eq.) at room temperature, shaking overnight. The resin was then washed extensively with several portions of DMF, MeOH and DCM and dried under high vacuum. Method (B) for coupling of the tail via mixed anhydride: Step 1. Heterocyclic acid derivative (0.52mmol, 1 eq.) was reacted with Boc anhydride (2.11mmol, 4 eq.) in dry tetrahydrofuran in presence of pyridine (2.64mmol, 5 eq.) at r. t. overnight. After full consumption of starting material volatiles were removed in vacuo. Aqueous 0.5M hydrochloric acid solution was added and the product was extracted with ethyl acetate. The organic layer was washed with water, separated and dried over sodium sulfate. Volatiles were removed in vacuo yielding a crude product as yellowish oil, which was used in the next step without further purification. Step 2. The 2-CTC resin containing 3a (0.13mmol, 1 eq.) was suspended in DMF (3mL) containing mixed anhydride prepared in Step 1 (presumed 0.52mmol, 4 eq.) and DIPEA (1.82mmol, 14 eq.). The reaction mixture was shaken at r. t. overnight. The resin was filtered, washed with DMF (5×2mL), DCM (5×2mL) and THF (5×4mL). General method for cleavage from the solid support. 2-CTC resin containing oligopeptides was added into a mixture of HFIP/DCM 1:4 (4mL) and the reaction mixture was shaken at room temperature for 1.5h. The resin was filtered off and washed with DCM and THF. The volatiles were evaporated in vacuo. Purification: The crude peptides were dissolved in THF (2.5mL) and H2O/MeCN (1:1, 2.5mL), filtered through a 0.45mum nylon membrane filter and purified in 1-3 runs by preparative RP-HPLC. The reported yields are based on calculated loading of the oligopeptide on 2-CTC resin. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
5% | Stage #1: Fmoc-N-methylvaline With thionyl chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Inert atmosphere; Stage #2: With piperidine In N,N-dimethyl-formamide Inert atmosphere; Stage #3: Fmoc-Val-OH; Boc-N-Me-Val-OH; tert-butyl (S)-2-(((benzyloxy)carbonyl)(methyl)amino)-3-(4-methoxy-1-tosyl-1H-indol-3-yl)propanoate; N-(9-fluorenylmethoxycarbonyl)-N-methyl-L-leucine; Fmoc-Thr-OH; (2S,3R)-3-tert-butoxy-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid; trifluoroacetic acid; Fmoc-threo-β-OH-L-Phe-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2% | Stage #1: Fmoc-N-methylvaline With thionyl chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Inert atmosphere; Stage #2: With piperidine In N,N-dimethyl-formamide Inert atmosphere; Stage #3: Fmoc-Val-OH; tert-butyl (S)-2-(((benzyloxy)carbonyl)(methyl)amino)-3-(4-methoxy-1-tosyl-1H-indol-3-yl)propanoate; N-(9-fluorenylmethoxycarbonyl)-N-methyl-L-leucine; Fmoc-Thr-OH; (2S,3R)-3-tert-butoxy-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid; trifluoroacetic acid; N-Fmoc-N-methyl-L-isoleucine; Fmoc-threo-β-OH-L-Phe-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
3% | Stage #1: Fmoc-N-methylvaline With thionyl chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Inert atmosphere; Stage #2: With piperidine In N,N-dimethyl-formamide Inert atmosphere; Stage #3: Fmoc-Val-OH; tert-butyl (S)-2-(((benzyloxy)carbonyl)(methyl)amino)-3-(4-methoxy-1-tosyl-1H-indol-3-yl)propanoate; N-Fmoc L-Phe; N-(9-fluorenylmethoxycarbonyl)-N-methyl-L-leucine; Fmoc-Thr-OH; (2S,3R)-3-tert-butoxy-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid; trifluoroacetic acid; N-Fmoc-N-methyl-L-isoleucine; (S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanoic acid Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
19.6% | Stage #1: Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Stage #2: With piperidine; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.5h; Stage #3: Fmoc-Val-OH; Fmoc-Leu-OH; Fmoc-Pro-OH; Fmoc-(tBu)Asp-OH; Fmoc-D-Phe-OH; (2S,3R)-3-tert-butoxy-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid; Fmoc-Lys(Dde)-OH; 1-tert-butoxycarbonyl-N-[(9-fluorenyl)methoxycarbonyl]-D-tryptophan Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoic acid; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
3.4 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; N-Fmoc-sarcosine; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10.7 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; Fmoc-Pro-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2.6 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; (2S,4R)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
9.6 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; (S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
14.9 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; (2S)-N-fluorenylmethyloxycarbonyl-2-amino-N-methyl-3-phenylpropanoic acid; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
6.8 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH; N-α-Fmoc-N-β-alloc-L-diaminopropionic acid Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Ser(tBu)-OH; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
8 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-(tBu)Asp-OH; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2.5 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH; Fmoc-L-Chg-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
7.6 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
7.2 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
14.9 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
6 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; Fmoc L-norvaline; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
11 mg | Stage #1: N-Fmoc L-Phe With 2-chlorotrityl chloride resin; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: methanol; Fmoc-Val-OH; Boc-N-Me-Val-OH; (2S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-4-methylpentanoic acid; Fmoc-Thr-OH; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH; Fmoc-L-norleucine; trifluoroacetic acid; Nα-Fmoc-Trp(Nin-Boc)-OH Further stages; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: benzyl(2-amino-2-(3-bromophenyl)ethyl)carbamate; Fmoc-N-Me-L-Thr(O<SUP>t</SUP>Bu)-OH With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 25℃; for 3h; |
[ 252049-06-2 ]
(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-hydroxybutanoic acid
Similarity: 0.95
[ 138797-71-4 ]
(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid
Similarity: 0.95
[ 122996-47-8 ]
(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid
Similarity: 0.93
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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