TANOGITRAN

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 Search

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

Molecular Formula	C25H31N7O3
Molecular Weight	477.5587
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17410124 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/204477b9397e585b8ef872c6f6dee487.html

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

PubMed

Title	Date	PubMed
Oral and parenteral anticoagulants: new kids on the block.	2012 Oct-Dec	23298923

Patents

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:12:05 GMT 2023` Edited by `admin` on `Sat Dec 16 16:12:05 GMT 2023`
Record UNII	X5QRR6Z56Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TANOGITRAN

Official 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

BIBT-986

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C263