[ CAS No. 125238-99-5 ]

Name: 125238-99-5|Fmoc-Dab(Boc)-OH|97%
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Quality Control of [ 125238-99-5 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 125238-99-5 ]

CAS No. :	125238-99-5	MDL No. :	MFCD00151941
Formula :	C₂₄H₂₈N₂O₆	Boiling Point :	670.9°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	440.49 g/mol	Pubchem ID :	2756101
Synonyms :

Calculated chemistry of of [ 125238-99-5 ]

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.38
Num. rotatable bonds :	12
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	118.53
TPSA :	113.96 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.4
Log Po/w (XLOGP3) :	3.75
Log Po/w (WLOGP) :	3.89
Log Po/w (MLOGP) :	2.39
Log Po/w (SILICOS-IT) :	2.97
Consensus Log Po/w :	3.08

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.42
Solubility :	0.0168 mg/ml ; 0.0000381 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.84
Solubility :	0.000643 mg/ml ; 0.00000146 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.17
Solubility :	0.000298 mg/ml ; 0.000000678 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.08

Safety of [ 125238-99-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 125238-99-5 ]

* 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.

Upstream synthesis route of [ 125238-99-5 ]
Downstream synthetic route of [ 125238-99-5 ]

[ 125238-99-5 ] Synthesis Path-Upstream 1~4

1
[ 24424-99-5 ]
[ 161420-87-7 ]
[ 125238-99-5 ]

Yield	Reaction Conditions	Operation in experiment
86.62%	With sodium hydroxide In water; acetone at 0 - 10℃; for 4 h;	B. The suspension 50g146 . 8nmolFmoc-Dab-OH with 700 ml acetone: water = 1:in 1(v/v), in 0-10 °C add 38.4g176 . 1nmol (Boc)₂O, 0.5NNaOH adjusting pH= 7.5-8, reaction 4 hours after Fmoc-Dab (Boc)-OH56g processing product, yield 86.62percent, HPLC99 . 4percent. The infrared, nuclear magnetic resonance confirmed correct structure, see Figure 3, Figure 4.

Reference： [1] Patent: CN105348147, 2016, A, . Location in patent: Paragraph 0020
[2] Bulletin of the Chemical Society of Japan, 2004, vol. 77, # 10, p. 1915 - 1924
[3] European Journal of Medicinal Chemistry, 1995, vol. 30, # 2, p. 115 - 122

2
[ 918428-66-7 ]
[ 125238-99-5 ]

Reference： [1] Synthetic Communications, 2006, vol. 36, # 19, p. 2901 - 2912

3
[ 159530-17-3 ]
[ 125238-99-5 ]

Reference： [1] Synthetic Communications, 2006, vol. 36, # 19, p. 2901 - 2912

4
[ 125238-99-5 ]
[ 161420-87-7 ]

Reference： [1] Journal of the American Chemical Society, 2014, vol. 136, # 32, p. 11546 - 11554
[2] Journal of the American Chemical Society, 2014, vol. 136, # 39, p. 13498 - 13501

[ 125238-99-5 ] Synthesis Path-Downstream 1~33

1
[ 20866-48-2 ]
[ 35661-40-6 ]
[ 71989-14-5 ]
[ 125238-99-5 ]
[ 110116-75-1 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

2
[ 811434-05-6 ]
[ 35661-60-0 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
Fmoc-D-Phe-OH [ No CAS ]
C₈₁H₉₂Cl₃N₁₁O₁₇ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 1915 - 1924

3
[ 811434-05-6 ]
[ 35661-60-0 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
Fmoc-D-Phe-OH [ No CAS ]
C₉₃H₁₀₅Cl₄N₁₃O₂₀ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 1915 - 1924

4
[ 811434-05-6 ]
[ 35661-60-0 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
Fmoc-D-Phe-OH [ No CAS ]
C₁₀₄H₁₁₈Cl₄N₁₄O₂₂ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 1915 - 1924

5
[ 811434-05-6 ]
[ 35661-60-0 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
Fmoc-D-Phe-OH [ No CAS ]
Fmoc-L-α,γ-diaminobutyryl(2-ClZ)-Thr(Bzl)-L-α,γ-diaminobutyryl(2-ClZ)-L-α,γ-diaminobutyryl-L-α,γ-diaminobutyryl(2-ClZ)-d-Phe-Leu-L-α,γ-diaminobutyryl(2-ClZ)-L-α,γ-diaminobutyryl(2-ClZ)-Thr(Bzl)-OH [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 1915 - 1924

6
(S)-(3-fluoren-9-yl-9-methoxycarbonyl)-4-[2-(tert-butyloxycarbonylamino)ethyl]-5-oxazolidinone [ No CAS ]
[ 125238-99-5 ]

Reference： [1]Synthetic Communications,2006,vol. 36,p. 2901 - 2912

7
[ 14464-29-0 ]
[ 125238-99-5 ]
Fmoc-L-Arg^NO₂ [ No CAS ]
[ 76-05-1 ]
N^α-acetyl-L-Arg^NO2-LDbu-NH2 [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 2938 - 2945

8
C₂₇H₂₂N₂O₉S [ No CAS ]
[ 125238-99-5 ]
[ 116821-47-7 ]
Fmoc-D-Arg(Pmc)-OH [ No CAS ]
C₇₇H₁₂₂N₃₄O₁₇S [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2008,vol. 56,p. 1515 - 1520
[2]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 5129 - 5132

9
[ 918428-66-7 ]
[ 125238-99-5 ]

Reference： [1]Synthetic Communications,2006,vol. 36,p. 2901 - 2912

10
[ 159530-17-3 ]
[ 125238-99-5 ]

Reference： [1]Synthetic Communications,2006,vol. 36,p. 2901 - 2912

11
[ 71989-20-3 ]
Fmoc-Ala [ No CAS ]
[ 125238-99-5 ]

Reference： [1]Bulletin of the Chemical Society of Japan,2004,vol. 77,p. 1915 - 1924

12
[ 125238-99-5 ]
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid benzyl ester; hydrochloride [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2004,vol. 126,p. 1041 - 1043

13
[ 125238-99-5 ]
[ 668985-71-5 ]

Reference： [1]Journal of the American Chemical Society,2004,vol. 126,p. 1041 - 1043

14
[ 125238-99-5 ]
[ 688316-86-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2199 - 2203

15
[ 125238-99-5 ]
[ 456527-46-1 ]

Reference： [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 1021 - 1024
[2]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 2514 - 2529
[3]Patent: WO2006/123020,2006,A1

16
[ 125238-99-5 ]
[ 315203-40-8 ]

Reference： [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 1021 - 1024
[2]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 2514 - 2529

17
[ 125238-99-5 ]
tert-butyl ((S)-3-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3,4-difluorophenyl)propanamido)-4-(benzylamino)-4-oxobutyl)carbamate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 1021 - 1024
[2]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 2514 - 2529

18
[ 125238-99-5 ]
{3-benzylcarbamoyl-3-[2-{3-[1-(2,6-dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indazol-6-yl]-ureido}-3-(3,4-difluoro-phenyl)-propionylamino]-propyl}-carbamic acid tert-butyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 1021 - 1024
[2]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 2514 - 2529

19
[ 125238-99-5 ]
[ 125279-44-9 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 2938 - 2945

20
[ 125238-99-5 ]
[ 291529-79-8 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 2938 - 2945

21
[ 118-31-0 ]
[ 125238-99-5 ]
[ 369656-01-9 ]

Yield	Reaction Conditions	Operation in experiment
60%	With benzotriazol-1-ol; diisopropyl-carbodiimide; In DMF (N,N-dimethyl-formamide); dichloromethane; at 50℃;	Fmoc-Dbu (Boc) -OH (100 mg, 440.5 G/MOL, 0.23 mmol, 1 eq), DIC (36 mul, 126.20 G/MOL, 0.806 G/CM3, 0.23 mmol, 1 eq) and HOBt (31 mg, 135.12 G/MOL, 0.23 MMOL, 1 eq) were dissolved in dry DMF/DCM (1/1,3 ML). After 5 minutes 1-NAPHTHYLMETHYLAMINE (33 1LL, 157.22 g/mol, 1.092 G/CM3, 0.23 MMOL, 1 eq, Fluka) was added to the reaction mixture. After overnight stirring at 50°C, solvent was evaporated and the residue was dissolved in 30 ML ETHYL acetate and washed three times with 20 ml water. Organic phase was dried with NA2SO4 and evaporated. Residue was purified with flash chromatography. 78.5 mg of 4-N-BOC-AMINO- (S)-2-N -FMOC-AMINO-N"-1-NAPHTHYLMETHYLBUTAN- amide was obtained, yield 60percent.

Reference： [1]Patent: WO2005/33069,2005,A1 .Location in patent: Page/Page column 28

22
[ 125238-99-5 ]
[ 13078-79-0 ]
[ 849948-71-6 ]

Yield	Reaction Conditions	Operation in experiment
100%	With benzotriazol-1-ol; diisopropyl-carbodiimide; In DMF (N,N-dimethyl-formamide); dichloromethane; at 35℃;	Fmoc-Dbu (Boc) -OH (250.8 mg, 440.5 G/MOL, 0.57 MMOL, 1 eq), DIC (89 mul, 126.20 g/mol, 0. 806 G/CM3, 0.57 mmol, 1 eq) and HOBt (77.6 mg, 135.12 g/mol, 0.57 mmol, 1 eq) were dissolved in dry DMF/DCM (1/1,6 ml). After 5 minutes 2- (3-CHLOROPHENYL) ETHYLAMINE (79 ; J, 155.63 g/mol, 1.119 G/CM3, 0.57 mmol, 1 eq) was added to the reaction mixture. Temperature was raised to 35°C and mixture stirred overnight. Solvent was then evaporated and residue dissolved in DCM, which was washed twice with water and once with brine. Organic phase was subsequently dried with NA2SO4 and evaporated. Residue was purified with silica column chromatography (mobile phase starting from DCM up to 5percent MEOH in DCM). 4- (N-Boc-amino)-N'-2- (3-chloro- phenyl) ethyl- (S)-2- (N"-Fmoc-amino) butanamide was obtained with quantita- tive yield.

Reference： [1]Patent: WO2005/33069,2005,A1 .Location in patent: Page/Page column 29

23
[ 541-41-3 ]
[ 125238-99-5 ]
C₂₇H₃₂N₂O₈ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at -5℃; for 0.5h;	Example 3; Synthesis of (S)-4-methyInaphthalene-1 -sulfonic acid (3-amino-1-benzyl- oxymethylpropyl)amide (compound 3); Step .; [0073] Fmoc-/--Dab(Boc)-OH (402 mg, 440.50 g/mol 0,91 mmol, 1 eq) was dissolved in dry THF (10 ml). TEA (132 mul, 0,95 mrno., 1 eq) was added and the resulting mixture was cooled to -5 0C in an ice/salt bath. Ethyl chloro- formate (91 mul, 108.53 g/mol, 1.135 g/cm3, 0.95 mmol, 1 eq) was added drop- wise to the mixture. After a 30 min reaction time the formed precipitate was filtered off. The filtrate was added dropwise to a freshly prepared and cooled (-50C) solution of sodium borohydride (43.7mg, 37.83 g/mol, 1.16 mmol, 1.3 eq) in 2 ml of H2O/THF. The resulting mixture was stirred at -5 0C for 1.5 h and then allowed to warm up to room temperature. The solvent was evaporated and the residue dissolved in EtOAc (30 ml) before it was washed successively with a 10percent citric acid solution, a 5percent NaHCO3 solution, water and brine. The organic phase was dried over Na2SO4. Filtration and evaporation gave a crude product which was purified by chromatography to obtain 282 mg (72 percent yield) of (S)-4-(Lambda/-Boc- amino)-2-(A/'-Fmoc-amino)butan-1-ol.

Reference： [1]Patent: WO2006/123020,2006,A1 .Location in patent: Page/Page column 33

24
[ 61-54-1 ]
[ 79-11-8 ]
[ 125238-99-5 ]
[ 1000787-30-3 ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 6133 - 6143

25
C₁₅H₁₉N₄O₄Pol [ No CAS ]
[ 125238-99-5 ]
C₃₉H₄₅N₆O₉Pol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		0.65 g of resin 5a are divided into 5 aliquots. 0.65 g of resin 5b are divided into two equal portions. 0.45 mmol of each N-protected amino acids 6a-f (6a: N(alpha)-Fmoc-N(gamma)-Boc-L-2,4-diaminobutyric acid, twice; 6b: Fmoc-(OTrt)-L-homoserine; 6c: Fmoc-Asp(OtBu)-OH; 6d: Fmoc-Trp(Boc)-OH; 6e: Fmoc-L-4-MePhe-OH; 6f: Fmoc-L-(4-Boc-aminomethyl)Phe-OH each are dissolved in solutions of 5 mL of DMF, 93 muL of DIC and 92 mg of HOBt*H2O. The solutions obtained are stirred for 30 minutes at rt. The solution of activated 6a obtained is divided into 2 equal portions. The portions are transferred to an aliquot of resin 5a and resin 5b to give the side chain protected resins 7a and 8a, respectively. The solutions of activated 6b-e obtained are transferred to the remaining aliquots of resin 5a to give protected resins 7b-e. The solution containing 6f is transferred to the second aliquot of resin 5b to give protected resin 8b. After shaking for 16.5 hours at rt the resins obtained are filtered off and washed with DMF (9.x.10 mL), DCM (6.x.10 mL) and MeOH (6.x.10 mL). The fully protected resins 7a-e and 8a-b obtained are dried under reduced pressure. All chloranil tests are negative.

Reference： [1]Patent: US2009/5419,2009,A1 .Location in patent: Page/Page column 9-10

26
[ 120-43-4 ]
[ 125238-99-5 ]
[ 1163792-20-8 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethylmorpholine;; O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; In N,N-dimethyl-formamide; at 0℃; for 1h;	Example 92: 4-[(S)-4-Acetylamino-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1- yl)-2-oxo-ethoxy]-1 -phenyl-1 H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1 - carboxylic acid ethyl ester; i) 4-[(S)-4-tert-Butoxycarbonylamino-2-(9H-fluoren-9-ylmethoxycarbonylamino)- butyryl]-piperazine-1 -carboxylic acid ethyl ester; To a solution of 1.33 ml 1-ethoxycarbonylpiperazine, 1.27 ml N-ethylmorpholine and 4.0 g N-alpha-Fmoc-N-beta-Boc-L-diaminobutyric acid in 40 ml DMF were added 2.98 g TOTU at 0 0C. After 1 h the reaction mixture was diluted with 100 ml ethyl acetate and subsequently extracted with aqueous LiCI (4 percent), half-saturated aqueous NaHCO3 and water. The crude <n="118"/>product obtained after evaporation of the solvent was used in the subsequent reaction. Yield: 4.96 g colorless foam.

Reference： [1]Patent: WO2009/80226,2009,A2 .Location in patent: Page/Page column 116-117

27
C₂₆H₂₈N₂O₃ [ No CAS ]
[ 125238-99-5 ]
[ 1185653-49-9 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 20℃;	Example 28 Synthesis of Compound 28 (S)-9-fluorenylmethyl 10-(2,2-diphenylethyl)-2,2-dimethyl-18-phenyl-4,9,13,16-tetraoxo-3,17-dioxa-5,10,15-triazaoctadecan-8-ylcarbamate To 2,2-diphenylethylamine (0.95 g, 7.4 mmol) in DCM (10 mL) was added the alpha,beta-unsaturated ketone 27 (5.7 mmol) in DCM (75 mL). After stirring at room temperature for 15 mins, Fmoc-L-2,4-diaminobutyric acid(Boc)-OH (2.4 g, 8.55 mmol) and DIC (0.87 mL, 5.6 mmol) were added. The reaction was stirred at room temperature overnight. The DCM was removed by rotary evaporation and the residue was subjected to column chromatography on silica gel using petroleum ether:EtOAc (1:1 to 0:1) to give 28 (1.5 g, 31percent) Alternatively, to 2,2-diphenylethylamine (0.97 g, 7.4 mmol) in DCM (20 mL) was added the alpha,beta-unsaturated ketone 27 (5.95 mmol) in DCM (40mL). After stirring at room temperature for 15 mins, Fmoc-L-2,4-diaminobutyric acid(Boc)-OH (2.4 g, 8.55 mmol), DIPEA (2.5 mL) and HATU (2.3 g, 6.0 mmol) were added. The reaction was stirred at room temperature overnight. The DCM was removed by rotary evaporation and the residue was taken up in EtOAc (100 mL). The organic layer was washed with saturated sodium bicarbonate solution (2100 mL), saturated ammonium chloride solution (2100 mL) and brine (2*100 mL). The organic phase was dried and the solvent removed under reduced pressure. The residue was subjected to column chromatography on silica gel using petroleum ether:EtOAc (3:1 to 1:1 to 0:1) to give 28 (0.86 g, 17percent).
	With diisopropyl-carbodiimide; In dichloromethane; at 20℃;	Example 28 Synthesis of Compound 28 (S)-9-fluorenylmethyl 10-(2,2-diphenylethyl)-2,2-dimethyl-18-phenyl-4,9,13,16-tetraoxo-3,17-dioxa-5,10,15-triazaoctadecan-8-ylcarbamate To 2,2-diphenylethylamine (0.95 g, 7.4 mmol) in DCM (10 mL) was added the alpha,beta-unsaturated ketone 27 (5.7 mmol) in DCM (75 mL). After stirring at room temperature for 15 mins, Fmoc-L-2,4-diaminobutyric acid(Boc)-OH (2.4 g, 8.55 mmol) and DIC (0.87 mL, 5.6 mmol) were added. The reaction was stirred at room temperature overnight. The DCM was removed by rotary evaporation and the residue was subjected to column chromatography on silica gel using petroleum ether:EtOAc (1:1 to 0:1) to give 28 (1.5 g, 31percent)

Reference： [1]Patent: US2009/221557,2009,A1 .Location in patent: Page/Page column 119
[2]Patent: US2009/221557,2009,A1 .Location in patent: Page/Page column 119

28
C₂₂H₂₈N₂O₃ [ No CAS ]
[ 125238-99-5 ]
[ 1185653-65-9 ]

Yield	Reaction Conditions	Operation in experiment
	With diisopropyl-carbodiimide; In dichloromethane; at 20℃;	Example 34 Synthesis of Compound 34 (S)-9-fluorenylmethyl 10-(2-phenylbutyl)-2,2-dimethyl-18-phenyl-4,9,13,16-tetraoxo-3,17-dioxa-5,10,15-triazaoctadecan-8ylcarbamate To 2-phenylbutylamine hydrochloride (0.26 g, 1.4 mmol) in DCM (10 mL) and DIPEA (0.25 mL, 1.8 mmol) was added the alpha,beta-unsaturated ketone 27 (1.06 mmol) in DCM (20 mL). After stirring at room temperature for 15 mins, Fmoc-diaminobutyric acid(Boc)-OH (0.7 g, 1.56 mmol) and DIC (0.25 mL, 1.61 mmol) were added. The reaction was stirred at room temperature overnight. The DCM was removed by rotary evaporation and the residue was subjected to column chromatography on silica gel using petroleum ether:EtOAc (1:1 to 0:1), providing Compound 34 as a mixture of diastereomers (0.17 g, 21percent).

Reference： [1]Patent: US2009/221557,2009,A1 .Location in patent: Page/Page column 121

29
C₁₅H₁₈Cl₂N₂O₃ [ No CAS ]
[ 125238-99-5 ]
[ 1185653-93-3 ]

Yield	Reaction Conditions	Operation in experiment
	With diisopropyl-carbodiimide; In dichloromethane; at 20℃;	Example 45 Synthesis of Compound 46 (S)-9-fluorenylmethyl 10-(3,5-dichlorobenzyl)-2,2-dimethyl-4,9,13,16-tetraoxo-3,17-dioxa-5,10,15-triazaiscos-19-en-8-ylcarbamate To 3,5-dichlorobenzylamine (0.49 g, 2.8 mmol) in DCM (5 mL) was added the alpha,beta-unsaturated ketone 45 (2.12 mmol) in DCM (10 mL). After stirring at room temperature for 15 mins, Fmoc-diaminobutyric acid(Boc)-OH (1.35 g, 3.1 mmol) and DIC (0.5 mL, 3.2 mmol) was added. The reaction was stirred at room temperature overnight. The DCM was removed by rotary evaporation and the residue was subjected to column chromatography on silica gel using petroleum ether:EtOAc (1:1 to 0:1), providing compound 46 (0.48 g, 22percent).

Reference： [1]Patent: US2009/221557,2009,A1 .Location in patent: Page/Page column 124

30
C₂₇H₂₂N₂O₉S [ No CAS ]
[ 125238-99-5 ]
[ 116821-47-7 ]
Fmoc-D-Arg(Pmc)-OH [ No CAS ]
C₂₃H₁₈N₂O₆S [ No CAS ]
C₅₄H₁₀₄N₃₂O₁₁ [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2008,vol. 56,p. 1515 - 1520

31
[ 35661-40-6 ]
[ 71989-18-9 ]
[ 125238-99-5 ]
[ 135673-97-1 ]
N-[(9-fluorenyl)methoxycarbonyl]-4-chloro-L-phenylalanine [ No CAS ]
[ 1186310-44-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2009,vol. 17,p. 5229 - 5237

32
[ 811434-05-6 ]
Fmoc-Ala-O-Wang resin [ No CAS ]
[ 124-07-2 ]
[ 35661-60-0 ]
[ 86123-10-6 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
C₁₀₁H₁₂₇Cl₅N₁₆O₂₃ [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2009,vol. 57,p. 240 - 244

33
[ 811434-05-6 ]
[ 124-07-2 ]
[ 1220955-83-8 ]
Fmoc-Thr(Bzl)-O-HMP-resin [ No CAS ]
[ 35661-60-0 ]
[ 86123-10-6 ]
[ 125238-99-5 ]
[ 117872-75-0 ]
C₁₀₃H₁₃₂Cl₄N₁₆O₂₃ [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2009,vol. 57,p. 240 - 244

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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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

[ CAS No. 125238-99-5 ]

Quality Control of [ 125238-99-5 ]

Related Doc. of [ 125238-99-5 ]

Product Details of [ 125238-99-5 ]

Calculated chemistry of of [ 125238-99-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 125238-99-5 ]

Application In Synthesis of [ 125238-99-5 ]

[ 125238-99-5 ] Synthesis Path-Upstream 1~4

[ 125238-99-5 ] Synthesis Path-Downstream 1~33

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry