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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H44N4O4S
Molecular Weight 484.696
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOFIGATRAN

SMILES

CCCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]2CC[C@H](N)CC2)C(C)(C)SC(C)C

InChI

InChIKey=MNMZVSQUWOILCZ-MUGJNUQGSA-N
InChI=1S/C24H44N4O4S/c1-6-14-32-23(31)27-20(24(4,5)33-16(2)3)22(30)28-13-7-8-19(28)21(29)26-15-17-9-11-18(25)12-10-17/h16-20H,6-15,25H2,1-5H3,(H,26,29)(H,27,31)/t17-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H44N4O4S
Molecular Weight 484.696
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Mitsubishi Tanabe Pharma was developing Sofigatran, a thrombin inhibitor, for the treatment of deep vein thrombosis. Sofigatran, is a direct oral thrombin inhibitor with a competitive binding mechanism. It has been assessed in a phase II trial for the treatment of deep vein thrombosis The compound was in phase II clinical trial for the treatment of DVT. Results of this trial have not been published and the clinical development of sofigatran has been discontinued by Mitsubishi Tanabe Pharma in 2007.

Originator

Curator's Comment: Sofigatran was originated by Mitsubishi Chemical Corporation.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:45:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:45:59 GMT 2023
Record UNII
5X6P105U1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOFIGATRAN
INN   WHO-DD  
INN  
Official Name English
MCC-977 BASE
Code English
PROPYL ((1S)-1-((2S)-2-((TRANS-4-AMINOCYCLOHEXYLMETHYL)CARBAMOYL)PYRROLIDINE-1-CARBONYL)-2-METHYL-2-((PROPAN-2-YL)SULFANYL)PROPYL)CARBAMATE
Systematic Name English
sofigatran [INN]
Common Name English
Sofigatran [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C152382
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
SMS_ID
300000037023
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
INN
8751
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
FDA UNII
5X6P105U1Y
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
CAS
187602-11-5
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID50940225
Created by admin on Fri Dec 15 18:45:59 GMT 2023 , Edited by admin on Fri Dec 15 18:45:59 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY