Ceralasertib (AZD-6738)

Description: Ceralasertib (formerly AZD6738), a morpholino-pyrimidine-based DNA damage repair agent, is a potent, orally bioavailable and selective inhibitor of ATR (ataxia telangiectasia and rad3 related) kinase with potential antitumor activity. It inhibits ATR with an IC50 of 1 nM. ATR is a serine/threonine protein kinase that is upregulated in various cancer cells. It is currently being investigated in phase I clinical trials for cancer treatment.

References: Lancet. 2015 Feb 26; 385 Suppl 1:S58; Sci Rep. 2015 Aug 27; 5:13545.

Related CAS: 1352280-98-8 (formic acid); 1352226-97-1 (racemate)

AZD6738; AZD-6738; AZD 6738

Chemical Name: (R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2, 3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone

InChi Key: OHUHVTCQTUDPIJ-JYCIKRDWSA-N

InChi Code: InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2, 21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4, 7-8, 11, 13, 21H, 5-6, 9-10, 12H2, 1-2H3, (H, 22, 23)/t13-, 29-/m1/s1

SMILES Code: C[S](=O)(C1(CC1)C2=NC(C3=C4C=CNC4=NC=C3)=NC(N5CCOC[CH]5C)=C2)=N