Chemical structure of CAS 952021-60-2

PF-477736

CAS No.952021-60-2
MDL No.N/A
MFC22H25N7O2
MW419.50
InChI KeyNDEXUOWTGYUVGA-LJQANCHMSA-N

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Product Information

PF-00477736 is a diazepinoindole compound, specifically 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one. It features a 1-methylpyrazol-4-yl group at position 2 and a carboxamide formed by the condensation of the amino group at position 8 with the carboxy group of (2R)-2-cyclohexylglycine. It inhibits checkpoint kinase 1 (Chk1), acts as a non-specific serine/threonine protein kinase inhibitor, and serves as an antineoplastic agent. It is an amino acid amide, a pyrazole, and a diazepinoindole.

CAS No.952021-60-2
Product NamePF-477736
Heavy Atom Count31Rotatable Bond Count4
Atom Stereo Count1Bond Stereo Count0
HBA6HBD4
TPSA130.190 ŲCharge0
Exact Mass419.20697Complexity1200.13
pKa7.130XLogP2.492