Ceralasertib (AZD6738) is an orally active, selective ATR kinase inhibitor with an IC50 of 1 nM. Phase 1/2.

 

Brand: BCM

 

Target: ATM/ATR

 

Signaling Pathways: PI3K/Akt/mTOR signaling; DNA Damage/DNA Repair

 

pKa: 12.53±0.40(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol (warmed with 50ºC water bath). Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4  

 

InChIKey: OHUHVTCQTUDPIJ-JYCIKRDWSA-N  

 

InChI: 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

 

Attribute
[Chem Name]	imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
[Synonym]	Ceralasertib; AZD6738
[CAS No.]	1352226-88-0
[EINECS]	805-672-6
[MDL No.]	MFCD28952790
[Formula]	C20H24N6O2S
[Molecular]	412.51
[Form]	Pale Yellow Solid
[Storage]	Sealed in dry, 2-8°C

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