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

Wat­­son-Int Link

http://​wat​son​-int​.com/​A​r​g​a​t​r​o​b​a​n​_​C​A​S​_​1​4​1​3​9​6​-​2​8​-​3​.​h​tml