Camostat supplier | CasNO.59721-28-7

Name
Camostat
EINECS
CAS No. 59721-28-7
Article Data2
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 194-198℃
Formula C₂₀H₂₂N₄O₅
Boiling Point 634.6 °C at 760 mmHg
Molecular Weight 398.418
Flash Point 337.6 °C
Transport Information
Appearance white crystals or crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Camostat;
PSA 134.81000
LogP 2.25810

Synthetic route

: 16060-65-4
4-guanidinobenzoic acid

: 59721-16-3
p-hydroxyphenylacetic acid-N, N-dimethylcarbamoylmethyl ester

: 59721-28-7
camostat

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile for 5h; Reflux;	38.2 g

: 87-69-4
L-Tartaric acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate hydrogentartrate hemihydrate

Conditions

Conditions	Yield
With water In isopropyl alcohol at 25 - 75℃;	99.1%

: 59721-28-7
camostat

: 86-48-6
1-hydroxy-2-naphthoic acid

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate xinafoate

Conditions

Conditions	Yield
In water; isopropyl alcohol at 25 - 60℃;	99.1%

: 110-94-1
1,5-pentanedioic acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate glutarate

Conditions

Conditions	Yield
In ethanol at 20 - 65℃;	98%

: 124-04-9
Adipic acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate adipate

Conditions

Conditions	Yield
In ethanol at 20 - 65℃;	98%

: 79-14-1
glycolic Acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate glycolate

Conditions

Conditions	Yield
In ethanol at 20 - 70℃;	96.3%

: 79-14-1
glycolic Acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate glycolate hemihydrate

Conditions

Conditions	Yield
With water In isopropyl alcohol at 20 - 45℃;	95.3%

: 64-19-7
acetic acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate acetate

Conditions

Conditions	Yield
In water; isopropyl alcohol at 20 - 45℃;	89.5%

: 110-15-6
succinic acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate succinate

Conditions

Conditions	Yield
In ethanol; water at 20 - 75℃;	88%

: 110-15-6
succinic acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate hydrogensuccinate

Conditions

Conditions	Yield
In ethanol; water at 20 - 70℃;	87.9%

: 495-69-2
Hippuric Acid

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate hippurate

Conditions

Conditions	Yield
In ethanol; water at 25 - 65℃;	83.4%

: 59721-28-7
camostat

: N,N-dimethyl-carbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate phosphate

Conditions

Conditions	Yield
With phosphoric acid In ethanol; water at 20 - 75℃; Product distribution / selectivity;	75.4%
With phosphoric acid In water at 20 - 50℃; Product distribution / selectivity;	73.7%

: 16060-65-4
4-guanidinobenzoic acid

: 59721-28-7
camostat

: C28H29N7O6

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile for 48h; Reflux;	45.5 g

Camostat Specification

This chemical is called Camostat, and its systematic name is N,N-dimethylcarbamoylmethyl 4-(4-guanidinobenzoyloxy)phenylacetate. With the molecular formula of C₂₀H₂₂N₄O₅, its molecular weight is 398.42. The CAS registry number of this chemical is 59721-28-7, and its product category is API. Additionally, this chemical is often used as non-peptide protease inhibitors.

Other characteristics of the Camostat can be summarised as followings: (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: 91.75 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 105.42 cm³; (15)Molar Volume: 309.5 cm³; (16)Polarizability: 41.79×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 337.6 °C; (20)Enthalpy of Vaporization: 93.79 kJ/mol; (21)Boiling Point: 634.6 °C at 760 mmHg; (22)Vapour Pressure: 5.22E-16 mmHg at 25°C.

Production method of this chemical:

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C)c2ccc(/N=C(\N)N)cc2
2.InChI: InChI=1/C20H22N4O5/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/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
3.InChIKey: XASIMHXSUQUHLV-UHFFFAOYAB

Product Name

Camostat

Synthetic route

Camostat Specification

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