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CAS No. : | 164470-64-8 | MDL No. : | MFCD01074693 |
Formula : | C23H19NO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JRHUROPSUJVMNH-UHFFFAOYSA-N |
M.W : | 373.40 | Pubchem ID : | 2756083 |
Synonyms : |
|
Num. heavy atoms : | 28 |
Num. arom. heavy atoms : | 18 |
Fraction Csp3 : | 0.13 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 105.23 |
TPSA : | 75.63 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.68 cm/s |
Log Po/w (iLOGP) : | 2.83 |
Log Po/w (XLOGP3) : | 4.08 |
Log Po/w (WLOGP) : | 4.27 |
Log Po/w (MLOGP) : | 3.48 |
Log Po/w (SILICOS-IT) : | 3.94 |
Consensus Log Po/w : | 3.72 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -4.74 |
Solubility : | 0.00681 mg/ml ; 0.0000182 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -5.37 |
Solubility : | 0.00158 mg/ml ; 0.00000423 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -7.34 |
Solubility : | 0.0000171 mg/ml ; 0.0000000457 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 3.41 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-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 |
---|---|---|
90% | With sodium hydrogencarbonate In 1,4-dioxane; water at 20℃; for 2 h; | (4-aminomethyl)-benzoic acid (4.9 g, 1. 1 equiv. ) was dissolved in 5percent NaHCO3 150 ml in water and stirred. N- (9- Fluorenylmethoxycarbonyl) -L-proline (Fmoc, 1 equiv. , lOg) was dissolved in an equivalent amount of dioxane and added. The reaction was allowed to stir at room temperature. After two hours, 10percent citric acid in water 75 ml was added. A white solid precipitated upon addition. The solid was washed filtered and washed with hexane. The solid was dissolved in THF and allowed to dry overnight over MGSO. The following day, the solution was filtered, crystallized from THF and hexane, and placed under a drying vacuum (90percent yield). ESIMS: (M+H) + Calcd, 373.1 ; Found, 374.1. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
23% | With sodium hydrogencarbonate In water; acetone at 20℃; | 4-(Aminomethyl)benzoic acid (304 mg, 2.0 mmol) was stirred in 10percent Sodium hydrogencarbonate (sat aq, 10 ml). N-(9-Fluorenylmethoxycarbonyloxy)succinimide (680 mg, 2.0 mmol) and acetone (10 ml) was added and thick suspension was formed. Water (10 ml) was added to give an almost clear mixture that was stirred at room temperature over week-end. The mixture was washed with dichloromethane (a thick precipitate was formed in the water layer). The water layer was acidified with HCI (1 M) and extracted with dichloromethane (the precipitate moved into the dichloromethane layer). The precipitate was filtered off, dissolved in acetone and the insoluble material was filtered off. This latter filtrate was evaporated and dried on pump to yield a pure product (174 mg, 0.466 mmol, 23 percent). H NMR (400 MHz, DMSO-cfe) δ ppm 4.25 (m, 3 H) 4.38 (d, J^6.6 Hz, 2 H) 7.26 - 7.46 (m, 6 H) 7.70 (d, J=7.6 Hz, 2 H) 7.81 - 7.99 (m, 5 H) 12.85 (br. s., 1 H). 3C NMR (101 MHz, DMSO-cfe) δ ppm 43.55, 46.82, 65.33, 120.1 1 , 125.14, 126.96, 127.03, 127.59, 129.37, 140.78, 143.86, 144.90, 156.41 , 167.19. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 20℃; for 12h; | Step B; The resin (0.2 g, ca 0.1 mmol) from Step A, Example 1 was suspended in 5 mL CH2Cl2. Fmoc-(4-aminomethyl)-benzoic acid (5 eq), HATU (5 eq) and DIEA (10 eq) were added. The mixture was shaken at room temperature for 12 h. The polymer was filtered and then washed with DMF (3×), MeOH (3×) and CH2Cl2 (3×) to provide a resin. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In 1,4-dioxane; | 4-[(9H-Fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoic acid (S23). To 4-aminomethyl-benzoic acid (10.6 g, 70.1 mmol) in dioxane (130 mL) was added 9% aqueous Na2CO3 (150 mL) followed by 9-fluorenylmethyloxycarbonyl-N-hydroxysuccinimide (26 g, 77 mmol). The solution was heated to 40 C. for 12 h and then cooled to room temperature. The reaction was acidified with 1 M HCl (500 mL), and extracted with ether (300 mL) to obtain acid S23 as a fluffy white solid (25.9 g, 69.4 mmol, 99%). 1H NMR (500 MHz, d6-DMSO): delta12.85 (broad s, 1H), 7.90 (m, 4H), 7.70 (m, 2H), 7.39 (m, 2H), 7.31 (m, 4H), 4.37 (d, 2H, J=6.8 Hz), 4.24 (d, 2H, J=5.8 Hz), 4.23 (t, 1H, J=6.8 Hz). APCI/MS: 372 (M+H+). | |
In 1,4-dioxane; | 4-[(9H-Fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoic acid (S23). To 4-aminomethyl-benzoic acid (10.6 g, 70.1 mmol) in dioxane (130 mL) was added 9% aqueous Na2CO3 (150 mL) followed by 9-fluorenylmethyloxycarbonyl-N-hydroxysuccinimide (26 g, 77 mmol). The solution was heated to 40 C. for 12 h and then cooled to room temperature. The reaction was acidified with 1 M HCl (500 mL), and extracted with ether (300 mL) to obtain acid S23 as a fluffy white solid (25.9 g, 69.4 mmol, 99%). 1H NMR (500 MHz, d6-DMSO): delta12.85 (broad s, 1H), 7.90 (m, 4H), 7.70 (m, 2H), 7.39 (m, 2H), 7.31 (m, 4H), 4.37 (d, 2H, J=6.8 Hz), 4.24 (d, 2H, J=5.8 Hz), 4.23 (t, 1H, J=6.8 Hz). APCI/MS: 372 (M+H+). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With benzotriazol-1-ol; In N,N-diethyl-N-isopropylamine; N,N-dimethyl-formamide; | Step B: Resin Bound 3-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoylamino}propionic Acid To the above resin bound Fmoc beta-alanine was added 500 muL of a 20% solution of piperidine in DMF. Upon shaking 30 min, the resin was drained and washed with 1 mL DMF containing 1-hydroxybenzotriazole (50 mg/mL) and DMF (2*1 mL). Then 200 mumol 4-[(9H-fluoren-9-yl-methoxycarbonylamino)methyl]benzoic acid (74.2 mg) dissolved in a mixture of 430 muL DMF and 70 muL diethylisopropylamine was added followed by 200 mumol bromo-tris-pyrrolidinophosphonium hexafluorophosphate (PyBrOP, 93 mg) dissolved in 500 muL DMF. The mixture was shaken for 4 hours at 25 C. followed by filtration and washing of the resin with 3*1 mL DMF. | |
With benzotriazol-1-ol; In N,N-diethyl-N-isopropylamine; N,N-dimethyl-formamide; | Resin Bound 3-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoylamino}-propionic Acid To the above resin bound Fmoc beta-alanine was added 500 muL of a 20% solution of piperidine in DMF. Upon shaking for 30 min, the resin was drained and washed with 1 mL DMF containing 1-hydroxybenzotriazole (50 mg/mL) and DMF (2*1 mL). Then 200 mumol <strong>[164470-64-8]4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid</strong> (74.2 mg) dissolved in a mixture of 430 muL DMF and 70 muL diethylisopropylamine was added followed by 200 mumol bromo-tris-pyrrolidinophosphonium hexafluorophosphate (PyBrOP, 93 mg) dissolved in 500 muL DMF. The mixture was shaken for 4 hours at 25 C. followed by filtration and washing of the resin with 3*1 mL DMF. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In 1,4-dioxane; water; sodium carbonate; | Preparation of N-FMOC-4-aminomethylbenzoic acid To a solution of 1.5 grams (0.01 mol) of 4-aminomethyl benzoic acid in 26 ml of 10% Na2CO3 at 13 ml of dioxane at 0 C. was added a solution of fluorenylmethoxychloroformate in 20 ml of dioxane dropwise. A thick glutinous mixture formed. The mixture was stirred over night at room temperature and then diluted with 100 ml of water and was washed with EtOAc (3*20 ml). The aqueous phase was acidified with concentrated HCl added dropwise with cooling and stirring. A white precipitate formed which was collected by filtration and dried in vacuo to give desired product. 1H-NMR (CDCl3 300 MHz): 4.15 (t, 1H); 4.31 (d, 2H); 4.40 (d, 2H); 6.0 (t, 1H); 7.22 (t, 4H); 7.32 (t, 2H); 7.52 (d, 2H); 7.69 (d, 2H); 7.70 (d, 2H); 7.92 (d, 2H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91.9% | With HBTU; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 22℃; for 2h; | A solution of Fmoc-Amb-OH (1.00 g, 2.68 mmol) in dry DMF (10.0 mL) at 22 C was treated with HBTU (1.22 g, 3.22 mmol) followed by /-Pr2NEt (2.30 mL, 13.2 mmol) and tert-butyl carbazate (354 mg, 2.68 mmol). After 2 hours of reaction time, all volatiles were removed in vacuo. The resulting oil was taken up in ethyl acetate (50 mL), washed with saturated solutions OfNaHCO3 (2 x 15 mL) and NaCl EPO <DP n="79"/>(1 x 15 mL) then dried over MgSO4, filtered through a plug of silica and concentrated in vacuo to a pale yellow crystalline solid (1.2Og, 2.46 mmol, 91.9%). This material was used directly in the subsequent step. 1H NMR (CDCl3, 600 MHz): delta 9.50 (IH, br s), 7.71 (IH, br s), 7.40 (2H, br d, J= 6.6 Hz), 7.31 (2H, d, J= 7.5 Hz), 7.20 (2H, d, J = 7.4 Hz), 6.94 (2H, t, J= 7.4 Hz), 6.90 (IH, t, J= 5.9 Hz), 6.86-6.84 (4H, m), 3.97 (2H, d, J= 6.8 Hz), 3.87 (2H, d, J= 6.0 Hz), 3.77 (IH, t, J= 6.6 Hz), 1.02 (9H, s). MS (ESI): 875.3 (100, 2M-Boc). 388.2 (90, M-Boc). |
87% | A solution of Fmoc-Amb-OH (2.50 g, 6.7 mmol), HOBt (1.11 g, 7.3 mmol), HBTU (2.77 g, 7.3 mmol) and diisopropylethylamine (3 ML, 17.2 mmol) in anhydrous N, N-dimethylformamide (10 mL) was stirred at ambient temperatures under nitrogen for 20 minutes, and treated with t-butyl carbazate (0.74 g, 5.6 mmol). After an additional 2 hours, the reaction was diluted with ethyl acetate (50 mL), washed consecutively with 0.1 N HC1 (3 x 30 mL), 0.1 N NaOH (30 ML), water (30 mL), dried over MgS04 and evaporated to dryness. The resulting yellow solid was recrystallized from ethyl acetate/hexanes to give the title compound as a colorless solid (2.37 g, 87%) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20℃; for 7h;Inert atmosphere; | <Synthesis of X>In 400 mL of dehydrated dichloromethane, 37.3 g (100 mmol) of 4-(FMOC-aminomethyl)benzoic acid was suspended, and 12.9 mL (150 mmol) of oxaryl chloride and 0.15 mL (1.9 mmol) of dimethylformamide were added in an argon atmosphere and stirred for 7 hours at room temperature. The reaction solution was concentrated under reduced pressure. The obtained residue was added to dehydrated toluene, and concentrated under reduced pressure, and then dissolved in 400 mL of dehydrated dichloromethane to obtain a solution A. | |
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 7h;Inert atmosphere; | 28.0 g (75 mmol) of 4-(FMOC-aminomethyl)benzoic acid was suspended in 375 mL of dehydrated dichloromethane and 12.9 mL (150 mmol) of oxaryl chloride and 0.12 mL (1.5 mmol) of dimethylformamide were added thereto in an argon atmosphere and the mixture was agitated at room temperature for 7 hours. The reaction solution was concentrated under reduced pressure. Dehydrated toluene was added to the residue and the mixture solution was concentrated under reduced pressure to obtain residue A. | |
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 7h;Inert atmosphere; | 37.3 g (100 mmol) of 4-(FMOC-aminomethyl)benzoic acid was suspended in 400 mL of dehydrated dichloromethane, and 12.9 mL (150 mmol) of oxalyl chloride and 0.15 mL (1.9 mmol) of dimethylformamide were added to the suspension in an argon atmosphere, followed by agitating at room temperature for 7 hours. The reaction solution was concentrated under reduced pressure, and dehydrated toluene was added to the residue. Then, the mixture was concentrated under reduced pressure, and dissolved in 400 mL of dehydrated dichloromethane, to thereby obtain solution A. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
To the above resin bound Fmoc beta-alanine was added 500 muL of a 20% solution of piperidine in DMF. Upon shaking 30 min, the resin was drained and washed with 1 mL DMF containing 1-hydroxybenzotriazole (50 mg/mL) and DMF (2 x 1 mL). Then 200 mumol 4-[(9H-fluoren-9-yl-methoxycarbonylamino)methyl]benzoic acid (74.2 mg) dissolved in a mixture of 430 muL DMF and 70 muL diethylisopropylamine was added followed by 200 mumol bromo-tris-pyrrolidinophosphonium hexafluorophosphate (PyBrOP, 93 mg) dissolved in 500 muL DMF. The mixture was shaken for 4 hours at 25C followed by filtration and washing of the resin with 3 x 1 mL DMF. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With (benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate; triethylamine; In dimethyl sulfoxide; at 20℃; for 20h;pH 7.0; | N-(4-Aminomethylbenzoyl) S44HP DMAP amide, -HP amide, -DMAE amide (Compound 35, 40, 46 respectively)(Sc/«elambda«e 3 Jig 12, left side).1st Step (N-[4-Fmoc-aminomethyl] benzoylatio) - N-(4-Fmoc-aminomethyl benzoyl) S44HP: The derivatives were obtained in the conditions as for Compound 38 (1st Step). To a solution of 4-N-Fmoc-aminomethylbenzoic acid (80 mg, 0.022 mmol) and S44HP (100 mg, 0.11 mmol) in DMSO (3 mL), Et3N to adjust pH7, and PyBOP (90 mg, 0.165 mmol) was added. The reaction mixture was kept at r.t. for 20 h and then dropwise to diethyl ether (200 mL) was added. The yellow precipitate was filtered off and purified by column chromatography on Merck Silica Gel for column chromatography (0.040 - 0. 063 mm) in the system CHCl3 :MeOH:HCOOH (3:1:0.01) to yield N-(4-N-Fmoc-aminomethyl)benzoyl S44HP (Compound 47) with the purity -95%, by HPLC data (Rt=18.18, system B). TLC (Rf= 0.61, 1) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | 3.35 g (9.92 mmol) of 4-(FMOC-aminomethyl)benzoic acid was suspended in 40 mL of dehydrated dichloromethane and 1.70 mL (18.8 mmol) of oxaryl chloride and 15 muL (0.19 mmol) of dimethylformamide were added thereto in an argon atmosphere and the mixture was agitated at room temperature overnight. The reaction solution was concentrated under reduced pressure. Dehydrated toluene was added to the residue and the mixture solution was concentrated under reduced pressure. The residue was dissolved in 50 mL of dehydrated dichloromethane and 1.61 g (11.9 mmol) of 1-hydroxybenzotriazole was added thereto. Subsequently, the mixture solution was cooled with ice and 1.20 mL of pyridine was added thereto. The mixture solution was then agitated at room temperature for 1 hour, diluted by dichloromethane and washed with water. The dichloromethane solution was then concentrated under reduced pressure and 12 mL of the dehydrated dichloromethane was added to the reaction mixture A. The mixture solution was then agitated at room temperature for 3 hours. Subsequently, 10 mL of methanol was added thereto and the mixture solution was agitated for 30 minutes. The reaction solution was diluted by dichloromethane and washed with water. The dichloromethane solution was concentrated under reduced pressure and the residue was purified by medium pressure chromatography (dichloromethane-ethanol 49:1?9:1). In this way, target product XV was obtained in an amount of 5.20 g (63%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 2h; | The isocyanate of the glutamyl moiety was generated in situ by adding a mixture of 3mmol of bis(tert-butyl) L-glutamate hydrochloride and 1.5 mL of Nethyldiisopropylamine (DIPEA) in 200 mL of dry CH2CI2 to a solution of I mmol triphosgene in 10 mL of dry CH2CI2 at 0 C over 4 h. After agitation of the reaction mixture for I h at 25 C, 0.5 mmcl of the resin-immobilized (2-chioro-trityiresin) - allyloxycarbonyl protected lysine in 4 mL DCM was added and reacted for 16 h withgentle agitation. The resin was filtered off and the allyloxy-protecting group was removed using 30 mg tetrakis(triphenyl)palladium(0) and 400 pL morpholine in 4 mL CH2CI2 for 3 hours. The following coupling of 3 times 4-(Fmoc-aminomethyl)benzoic acid (in case of MB4) or Fmoc-3-(2-naphthyl)-L-alanine and trans-4-(Fmoc- aminomethyl)cyclohexanecarboxylic acid (in case of MB17), respectively, wasperformed stepwise using 2 mmcl of the Fmoc-protected acid, 1.96 mmcl of HBTU and 2 mmol of N-ethyldiisopropylamine in a final volume of 4 mL DMF. After activation with 3.95 eq of HBTU and DIPEA for 2 h, 4 eq of tris(t-bu)-DOTA (Chematech) relative to the resin loading were reacted for 3 h in a final volume of 3 mL DMF. The product was cleaved from the resin in a 2 mL mixture consisting oftrifluoroacetic acid, triisopropylsilane, and water (95:2.5:2.5). Purification was performed using RP-HPLC and the purified product was analysed by analytical RPHPLC and MALDI-MS. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | <strong>[164470-64-8]4-([(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)benzoic acid</strong>{397.3 mg, 1.06 mmol) was evaporated with toluene and then dissolved in DMF (10 ml). N-Methylmorpholine (140, 1.27 mmol) was added, followed by isobutyl chloroformate (0.18 ml, 1.4 mmol). After 15 min, 1 ,2-Phenylendiamine (170 mg, 1.57 mmol) was added. The mixture was stirred at room temperature overnight and then evaporated to give the crude product as oil. This oil was dissolved in dichloromethane and crystals was formed. Recrystallization from methanol yielded pure product (254 mg, 0.548 mmol, 51 %) H NMR (400 MHz, DMSO-cfe) delta ppm 4.26 (m, 3 H) 4.39 (d, J^6.6 Hz, 2 H) 4.90 (br. s., 2 H) 6.61 (t, J=7.3 Hz, 1 H) 6.80 (d, J=7.6 Hz, 1 H) 6.98 (t, J=7.6 Hz, 1 H) 7.19 (d, J=8.1 Hz, 1 H) 7.35 (d, J^5.5 Hz, 4 H) 7.43 (t, J^7.0 Hz, 2 H) 7.72 (d, J^7.6 Hz, 2 H) 7.92 (m, 5 H) 9.63 (s, 1 H) 3C NMR (101 MHz, DMSO-cfe) delta ppm 43.51 , 46.80, 65.33, 1 16.12, 116.25, 120.12, 123.34, 125.12, 126.44, 126.65, 126.69 ,127.04, 127.60, 127.79, 133.15, 140.76, 143.10, 143.27, 143.86, 156.38, 165.10 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Example 3: Synthesis of compounds MB4 and MB17The isocyanate of the glutamyl moiety was generated in situ by adding a mixture of 3 mmol of bis(tert-butyl) L-glutamate hydrochloride and 1.5 mL of N-ethyldiisopropylamine (DIPEA) in 200 mL of dry CH2Cl2 to a solution of 1 mmol triphosgene in 10 mL of dry CH2Cl2 at 0 C over 4 h. After agitation of the reaction mixture for 1 h at 25 C, 0.5 mmol of the resin-immobilized (2-chloro-tritylresin) epsilon-allyloxycarbonyl protected lysine in 4 mL DCM was added and reacted for 16 h with gentle agitation. The resin was filtered off and the allyloxy-protecting group was removed using 30 mg tetrakis(triphenyl)palladium(0) and 400 muL morpholine in 4 mL CH2Cl2 for 3 hours. The following coupling of 3 times 4-(Fmoc-aminomethyl)benzoic acid (in case of MB4) or Fmoc-3-(2-naphthyl)-L-alanine and trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid (in case of MB17), respectively, was performed stepwise using 2 mmol of the Fmoc-protected acid, 1.96 mmol of HBTU and 2 mmol of N-ethyldiisopropylamine in a final volume of 4 mL DMF. After activation with 3.95 eq of HBTU and DIPEA for 2 h, 4 eq of tris(t-bu)-DOTA (Chematech) relative to the resin loading were reacted for 3 h in a final volume of 3 mL DMF. The product was cleaved from the resin in a 2 mL mixture consisting of trifluoroacetic acid, triisopropylsilane, and water (95:2.5:2.5). Purification was performed using RP-HPLC and the purified product was analysed by analytical RP-HPLC and MALDI-MS. |
[ 209252-15-3 ]
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
Similarity: 0.83
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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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