WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406362
Description: A-966492 is a potent PARP inhibitor, which displayed excellent potency against the PARP-1 enzyme with a K(i) of 1 nM and an EC(50) of 1 nM in a whole cell assay. In addition, A-966492 is orally bioavailable across multiple species, crosses the blood-brain barrier, and appears to distribute into tumor tissue. It also demonstrated good in vivo efficacy in a B16F10 subcutaneous murine melanoma model in combination with temozolomide and in an MX-1 breast cancer xenograft model both as a single agent and in combination with carboplatin.
MedKoo Cat#: 406362
Chemical Formula: C18H17FN4O
Exact Mass: 324.13864
Molecular Weight: 324.35
Elemental Analysis: C, 66.65; H, 5.28; F, 5.86; N, 17.27; O, 4.93
Synonym: A966492; A 966492; A-966492.
IUPAC/Chemical Name: (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide
InChi Key: AHIVQGOUBLVTCB-AWEZNQCLSA-N
InChi Code: InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
SMILES Code: O=C(C1=C2N=C(C3=CC=C([C@H]4NCCC4)C=C3F)NC2=CC=C1)N
1: Penning TD, Zhu GD, Gong J, Thomas S, Gandhi VB, Liu X, Shi Y, Klinghofer V, Johnson EF, Park CH, Fry EH, Donawho CK, Frost DJ, Buchanan FG, Bukofzer GT, Rodriguez LE, Bontcheva-Diaz V, Bouska JJ, Osterling DJ, Olson AM, Marsh KC, Luo Y, Giranda VL. Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. J Med Chem. 2010 Apr 22;53(8):3142-53. doi: 10.1021/jm901775y. PubMed PMID: 20337371