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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31N7O3
Molecular Weight 477.5587
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANOGITRAN

SMILES

CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC3=C1C=CC(=C3)[C@@](C)(NCC(O)=O)C(=O)N4CCCC4

InChI

InChIKey=MAOALPSHCIBFJZ-RUZDIDTESA-N
InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1

HIDE SMILES / InChI

Description

Tanogitran (also called as BIBT986) is a dual inhibitor of thrombin/factor Xa. Tanogitran participated in a clinical trial in endotoxin-induced coagulation, where was shown that tanogitran was a potent anticoagulant. In addition, the drug was studied in phase II clinical trial for the treatment of septic shock; however, information about the further development of this drug is not available.

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Theoretical Study of Molecular Structure and Physicochemical Properties of Novel Factor Xa Inhibitors and Dual Factor Xa and Factor IIa Inhibitors.
2016-02-04
Oral and parenteral anticoagulants: new kids on the block.
2013-01-10
New parenteral anticoagulants in development.
2011-02
Pharmacokinetics and pharmacodynamics of the dual FII/FX inhibitor BIBT 986 in endotoxin-induced coagulation.
2007-06
Patents

Patents

07169934
1
07294721
1
20040010026
1

Sample Use Guides

In Vivo Use Guide
Participants received one of three doses of BIBT986 or placebo intravenously together with a bolus infusion of 2 ng/kg lipopolysaccharide (LPS).
Route of Administration: Intravenous
Name Type Language
TANOGITRAN
INN  
INN  
Official Name English
BIBT-986
Preferred Name English
BIBT-986-BS
Code English
N-((2R)-2-(2-((4-CARBAMIMIDOYLANILINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)-1-OXO-1-(PYRROLIDIN-1-YL)PROPAN-2-YL)GLYCINE
Systematic Name English
tanogitran [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C90705
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID70870373
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
PUBCHEM
9826322
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
SMS_ID
300000034385
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
CAS
637328-69-9
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
INN
8408
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
ChEMBL
CHEMBL1270156
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
FDA UNII
X5QRR6Z56Q
Created by admin on Wed Apr 02 07:24:13 GMT 2025 , Edited by admin on Wed Apr 02 07:24:13 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of TANOGITRAN
NIH
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