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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

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

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

PubMed

TitleDatePubMed
Oral and parenteral anticoagulants: new kids on the block.
2012 Oct-Dec
Theoretical Study of Molecular Structure and Physicochemical Properties of Novel Factor Xa Inhibitors and Dual Factor Xa and Factor IIa Inhibitors.
2016 Feb 4
Patents

Sample Use Guides

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 UTC 2023
Edited
by admin
on Sat Dec 16 16:12:05 UTC 2023
Record UNII
X5QRR6Z56Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TANOGITRAN
INN  
INN  
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
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C90705
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
PUBCHEM
9826322
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
SMS_ID
300000034385
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
CAS
637328-69-9
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
INN
8408
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL1270156
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
FDA UNII
X5QRR6Z56Q
Created by admin on Sat Dec 16 16:12:05 UTC 2023 , Edited by admin on Sat Dec 16 16:12:05 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY