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PF 00477736

PF 00477736 structure

CAS No:
952021-60-2
Formula:
C22H25N7O2
Chemical Name:
PF 00477736
Synonyms:
Cyclohexaneacetamide,α-amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-ef][2,3]benzodiazepin-8-yl]-,(αR)-;(αR)-α-Amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-ef][2,3]benzodiazepin-8-yl]cyclohexaneacetamide;PF 477736;PF 00477736;1071848-28-6
Categories:
Biochemical Engineering > Inhibitors

Description

PF-00477736 is a diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an antineoplastic agent. It is an amino acid amide, a member of pyrazoles and a diazepinoindole.|PF-00477736 has been used in trials studying the treatment of Neoplasms.

PF 00477736 Basic Attributes

Molecular Weight：

418.47166

Exact Mass：

419.48

UNII：

XO23PGZ0SM

Characteristics

PSA：

134.48000

XLogP3：

3.42430

Appearance：

yellow

Density：

1.56

Water Solubility：

DMSO: ≥20mg/mL

Storage Conditions：

2-8°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

PF 00477736

PF 00477736 Use and Manufacturing

Checkpoint kinase 1 (Chk1) regulates S and G2-M phase cell cycle checkpoints in response to DNA damage. PF-477736 is an ATP-competitive inhibitor of Chk1 with a Ki value of 0.49 nM that demonstrates 100-fold selectivity over Chk2. When used in combination with various chemotherapeutics, PF-477736 abrogates DNA damage-induced cell cycle arrest, potentiating the antiproliferative effects of these compounds in tumor cell lines and xenografts.[Cayman Chemical]

Computed Properties

Molecular Weight:419.5
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:419.20697307
Monoisotopic Mass:419.20697307
Topological Polar Surface Area:130
Heavy Atom Count:31
Complexity:725
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PF 477736

CAS No.: 952021-60-2

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