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| CAS No.: | 59721-29-8 |
|---|---|
| Name: | Camostat mesilate |
| Molecular Structure: | |
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| Formula: | C20H22N4O5.CH4O3S |
| Molecular Weight: | 494.525 |
| Synonyms: | Camostatum [INN-Latin];Foipan (TN);p-Guanidinobenzoic acid, ester with (p-hydroxyphenyl)acetic acid, ester with N,N-dimethylglycolamide;Benzeneacetic acid, 4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-, 2-(dimethylamino)-2-oxoethyl ester, monomethanesulfonate;FOY 305;diaminomethylidene-[4-[4-(dimethylcarbamoylmethoxycarbonylmethyl)phenoxy]carbonylphenyl]azanium; methanesulfonate;Camostat mesylate;Camostat monomethanesulfonate;[4-(dimethylcarbamoylmethoxycarbonylmethyl)phenyl] 4-(diaminomethylideneamino)benzoate;Camostat [INN];Benzeneacetic acid,4-[[4-[(aminoiminomethyl)- amino]benzoyl]oxy]-,2-(dimethylamino)-2- oxoethyl ester,monomethanesulfonate;p-(p-Guanidinobenzoyloxy)phenyl acetic acid, N,N-dimethylcarbamoylmethyl ester; |
| EINECS: | 694-565-6 |
| Melting Point: | 150-155 °C |
| Boiling Point: | 634.6 °C at 760 mmHg |
| Flash Point: | 337.6 °C |
| Solubility: | Soluble in water (100 mM), DMSO (100 mM), and ethanol (<1 mg/ml). |
| Appearance: | crystalline solid |
| Hazard Symbols: | Xi,N |
| Risk Codes: | 36/37/38-50 |
| Safety: | 26-61 |
| PSA: | 197.56000 |
| LogP: | 2.84290 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 59721-16-3
p-hydroxyphenylacetic acid-N, N-dimethylcarbamoylmethyl ester
- 59721-29-8
camostat mesylate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In pyridine; methanol; diethyl ether |
- 59721-29-8
camostat mesylate
A
- 16060-65-4
4-guanidinobenzoic acid
B
- 71079-08-8
4-(4-guanidinobenzoyloxy)phenylacetic acid
| Conditions | Yield |
|---|---|
| With porcine esterase; sodium phosphate buffer at 37℃; Kinetics; pH 7.0; |
- 59721-29-8
camostat mesylate
A
- 14658-93-6
2-hydroxy-N,N-dimethylacetamide
B
- 156-38-7
4-hydroxyphenylacetate
C
- 16060-65-4
4-guanidinobenzoic acid
| Conditions | Yield |
|---|---|
| With Tris-HCl buffer; human liver carboxylesterase pI 4.5 at 37℃; pH=7.4; Enzyme kinetics; Hydrolysis; |
- 59721-29-8
camostat mesylate
A
- 14658-93-6
2-hydroxy-N,N-dimethylacetamide
B
- 71079-08-8
4-(4-guanidinobenzoyloxy)phenylacetic acid
| Conditions | Yield |
|---|---|
| With Tris-HCl buffer; human liver carboxylesterase pI 5.3 at 37℃; pH=7.4; Enzyme kinetics; Hydrolysis; |
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Specification
The Camostat mesilate, with its CAS registry number 59721-29-8, has the IUPAC name of [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonic acid. For being a kind of crystalline solid, its product categories are including All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. As to its usage, it is used as the protease inhibitor.
The physical properties of this chemical are as below: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 3.57; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.4; (13)Flash Point: 337.6 °C; (14)Enthalpy of Vaporization: 93.79 kJ/mol; (15)Boiling Point: 634.6 °C at 760 mmHg; (16)Vapour Pressure: 5.22E-16 mmHg at 25°C; (17)Exact Mass: 494.147135; (18)MonoIsotopic Mass: 494.147135; (19)Topological Polar Surface Area: 200; (20)Heavy Atom Count: 34; (21)Complexity: 695.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O
(2)InChI: InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
(3)InChIKey: FSEKIHNIDBATFG-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 200mg/kg (200mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. | |
| mouse | LD50 | oral | 3gm/kg (3000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 27, Pg. 719, 1985. | |
| mouse | LD50 | subcutaneous | 1400mg/kg (1400mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. | |
| rat | LD50 | intravenous | 152mg/kg (152mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. | |
| rat | LD50 | oral | 3gm/kg (3000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 27, Pg. 719, 1985. | |
| rat | LD50 | subcutaneous | 1320mg/kg (1320mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. |