NAPSAGATRAN ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N6O6S
Molecular Weight	558.65
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)C2=CC=C3C=CC=CC3=C2)C(=O)N(CC(O)=O)C4CC4)C1

InChI

InChIKey=BYDKEYCXCIVOOV-JTSKRJEESA-N

InChI=1S/C26H34N6O6S/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35)/t17-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H34N6O6S
Molecular Weight	558.65
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	84K87A0AJE
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NAPSAGATRAN ANHYDROUS

Common Name

English

GLYCINE, N-(N-((1-(AMINOIMINOMETHYL)-3-PIPERIDINYL)METHYL)-N2-(2-NAPHTHALENYLSULFONYL)-L-ASPARAGINYL)-N-CYCLOPROPYL-, (S)-

Common Name

English

napsagatran [INN]

Common Name

English

GLYCINE, N-(((3S)-1-(AMINOIMINOMETHYL)-3-PIPERIDINYL)METHYL)-N2-(2-NAPHTHALENYLSULFONYL)-L-ASPARAGINYL-N-CYCLOPROPYL-

Systematic Name

English

RO 46-6240

Code

English

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Classification Tree

Code System

Code

Agent Affecting Blood or Body Fluid

NCI_THESAURUS

C263

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Code System

Code

Type

Description

EPA CompTox

DTXSID60873338

PRIMARY

FDA UNII

84K87A0AJE

PRIMARY

PUBCHEM

6918278

PRIMARY

EVMPD

SUB09161MIG

PRIMARY

NCI_THESAURUS

C132279

PRIMARY

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					VL5IZU8PF8

NAPSAGATRAN

SALT/SOLVATE -> PARENT

Amount:


					6K15ABL77G

HUMAN THROMBIN

TARGET -> INHIBITOR

Comments:

Napsagatran [RO 466240], a reversible and highly selective thrombin inhibitor, was in development with Roche for use in myocardial infarction and thrombosis. Napsagatran efficiently inhibits and delays thrombin generation in human coagulating plasma. This reduced thrombin generation might be caused by inhibition of thrombin-mediated feedback reactions during blood coagulation. Ro 46-6240 inhibited clot-bound thrombin three times more potently than fluid-phase thrombin (IC50 19 vs 56 ng/ml) while hirudin was two times (IC50 8 vs 3 ng/ml) and heparin six times (IC50 1,205 vs 200 ng/ml) less active against clot-bound thrombin compared with fluid-phase thrombin.

Amount:


					VL5IZU8PF8

NAPSAGATRAN

SOLVATE->ANHYDROUS

Amount:

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					84K87A0AJE

NAPSAGATRAN ANHYDROUS

ACTIVE MOIETY

Amount:

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