Brivanib Alaninate
[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate
Molecular Identity
Brivanib Alaninate
[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate
PubChem CID: 11154925
Brivanib alaninate is a carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib. It is a prodrug of brivanib (BMS-540215), a potent oral dual inhibitor of VEGFR-2 and FGFR-1 (IC50 of 25 nM and 148 nM, respectively) and was in development for the treatment of hepatocellular and colon carcinomas. It has a role as an antineoplastic agent, an angiogenesis inhibitor, a prodrug, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist and an apoptosis inducer. It is a fluoroindole, a carboxylic ester, an aromatic ether, a diether, a L-alanine derivative and a pyrrolotriazine. It is functionally related to a brivanib.
2D Structure
Properties
C22H24FN5O4
Molecular Formula
441.50
Molecular Weight
g/mol
441.1812
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
660
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(C)OC(=O)C(C)N)CIsomeric SMILES
SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)CSynonyms(20)
Brivanib alaninate649735-63-7BMS-582664BMS582664BMS 582664alaninati brivanibumalaninate de brivanibalaninato de brivanibU2Y5OFN795DTXSID20215295Brivanib l-alanine esterBMS-582664-02CHEBI:167656(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoateL-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brivanib Alaninate
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