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
SMILES
O=C(O)[C@@H]3N(C(=O)C(NS(=O)(=O)c1cccc2c1NCC(C2)C)CCC/N=C(\N)N)CC[C@@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
