Argatroban Monohydrate CAS 141396-28-3

Identification

CAS Number

141396-28-3

Name

Argatroban Monohydrate

Synonyms

(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid
Argipidine
MQPA

Molecular Structure

Structure of Argatroban Monohydrate CAS 141396-28-3

SMILES

O=C(O)[[email protected]@H]3N(C(=O)C(NS(=O)(=O)c1cccc2c1NCC(C2)C)CCC/N=C(N)N)CC[[email protected]@H](C)C3.O

StdInChI

InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17?,18-;/m1./s1

StdInChIKey

AIEZTKLTLCMZIA-LINCPPCXSA-N

Molecular Formula

C23H36N6O5S·H2O

Molecular Weight

526.65

Properties

Appearance

White to off-white crystalline powder

Solubility

DMSO: ≥20 mg/mL

Boiling Point

384.6 °C at 760 mmHg

Melting Point

223 ºC(lit.)

Flash Point

148.9 °C

Safety Data

WGK Germany

3

RTECS

TM6126610

Specifications and Other Information of Our Argatroban Monohydrate CAS 141396-28-3

Purity

99% min

Identification

NMR, HPLC

Known Actions

It is a potent, seletive, univalent direct inhibitor of thrombin. It directly inhibits thrombin by binding only to its active site (thus univalent) as compared to Bivalent DTIs (hirudin and analogs) which bind both to the active site and exosite 1.

Known Application

It is an anticoagulant that is a small molecule direct thrombin inhibitor. In 2000, argatroban was licensed by the FDA for prophylaxis or treatment of thrombosis in patients with heparin-induced thrombocytopenia (HIT).

Productivity

g scale

Storage

2-8 °C

Watson-Int Link

http://watson-int.com/Argatroban_CAS_141396-28-3.html