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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27FN4O4
Molecular Weight 442.4833
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CCT-241533

SMILES

COC1=CC2=NC(=NC(N[C@@H]3CNC[C@H]3C(C)(C)O)=C2C=C1OC)C4=CC(F)=CC=C4O

InChI

InChIKey=HZASIAXCPXTISQ-NVXWUHKLSA-N
InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H27FN4O4
Molecular Weight 442.4833
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

CCT241533, a 2-(quinazolin-2-yl)phenol compound, is an ATP competitive inhibitor of checkpoint kinase CHK2. CCT241533 blocked CHK2 activity in human tumor cell lines in response to DNA damage. CCT241533 significantly potentiates the cytotoxicity of PARP inhibitors. CCT241533 demonstrated a concentration dependent radioprotective effect in mouse thymocytes was demonstrated.

Approval Year

Targets

Targets

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
CCT241533 is a potent and selective inhibitor of CHK2 that potentiates the cytotoxicity of PARP inhibitors.
2011 Jan 15
Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2.
2011 Jan 27
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
The cytotoxicity of CCT241533 in HT-29, HeLa, and MCF-7, measured as the growth inhibitory IC50 (GI50) by SRB assay, was 1.7, 2.2, and 5.1 μmol/L, respectively.
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:24 GMT 2023
Record UNII
79D8PWX59X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CCT-241533
Common Name English
3-PYRROLIDINEMETHANOL, 4-((2-(5-FLUORO-2-HYDROXYPHENYL)-6,7-DIMETHOXY-4-QUINAZOLINYL)AMINO)-.ALPHA.,.ALPHA.-DIMETHYL-, (3R,4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
79D8PWX59X
Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023
PRIMARY
PUBCHEM
135564841
Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023
PRIMARY
CAS
1262849-73-9
Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY