WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 207060
Description: M4344, also known as VX-803, is an orally available inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, ATR kinase inhibitor VX-803 selectively inhibits ATR activity and blocks the downstream phosphorylation of the serine/threonine protein kinase CHK1. This prevents ATR-mediated signaling, which results in the inhibition of DNA damage checkpoint activation, the disruption of DNA damage repair, and the induction of tumor cell apoptosis. ATR, a serine/threonine protein kinase upregulated in a variety of cancer cell types, plays a key role in DNA repair, cell cycle progression and survival; it is activated by DNA damage caused during DNA replication-associated stress.
MedKoo Cat#: 207060
Chemical Formula: C25H29F2N9O3
Exact Mass: 541.2361
Molecular Weight: 541.5638
Elemental Analysis: C, 55.45; H, 5.40; F, 7.02; N, 23.28; O, 8.86
Synonym: M4344; M-4344; M 4344; VX-803; VX803; VX 803;
IUPAC/Chemical Name: 2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
InChi Key: QAYHKBLKSXWOEO-UHFFFAOYSA-N
InChi Code: InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
SMILES Code: O=C(C1=C2N=CC(F)=CN2N=C1N)NC3=C(N4CCC(C(N5CCN(C6COC6)CC5)=O)CC4)C(F)=CN=C3
Note: structure was from below web page: http://www.x-mobio.com/xmdetailpro.php?id=830, also Sci-finder