Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H25ClN8OS |
Molecular Weight | 497.016 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(N4CCN(CC(=O)NC5=NC=CS5)CC4)C(Cl)=CN=C3N2
InChI
InChIKey=QYKHWEFPFAGNEV-UHFFFAOYSA-N
InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
Molecular Formula | C23H25ClN8OS |
Molecular Weight | 497.016 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/18089709Curator's Comment: description was created based on several sources, including
http://www.selleckchem.com/products/CCT129202.html | https://www.ncbi.nlm.nih.gov/pubmed/17933533
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18089709
Curator's Comment: description was created based on several sources, including
http://www.selleckchem.com/products/CCT129202.html | https://www.ncbi.nlm.nih.gov/pubmed/17933533
CCT129202 is a representative of a structurally novel series of imidazopyridine small-molecule ATP-competitive pan-Aurora inhibitors. This compound showed high selectivity for the Aurora kinases over a panel of other kinases tested and inhibits proliferation in multiple cultured human tumor cell lines. CCT129202 causes the accumulation of human tumor cells with >=4N DNA content, leading to apoptosis. CCT120202-treated human tumor cells showed a delay in mitosis, abrogation of nocodazole-induced mitotic arrest, and spindle defects. Growth of HCT116 xenografts in
nude mice was inhibited after i.p. administration of CCT129202. The cyclin-dependent kinase inhibitor p21, is induced by CCT129202. Up-regulation of p21 by CCT129202 in HCT116 cells led to Rb hypophosphorylation and E2F inhibition, contributing to a decrease in thymidine kinase 1 transcription.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4722 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17933533 |
42.0 nM [IC50] | ||
Target ID: CHEMBL2185 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17933533 |
198.0 nM [IC50] | ||
Target ID: CHEMBL3935 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17933533 |
227.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18089709
CCT129202 was dissolved in DMSO and injected i.p in vehicle,which comprised 10% DMSO,5% Tween 20,and 85% sterile saline at 0.1 mL/10 g body weight.
Route of Administration:
Intraperitoneal
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18089709
CCT129202 compound showed high selectivity for the Aurora kinases over a panel of other kinases tested and inhibits proliferation in multiple cultured human tumor cell lines. CCT129202 (50uM) causes the accumulation of human tumor cells with >=4N DNA content, leading to apoptosis. CCT120202-treated human tumor cells showed a delay in mitosis, abrogation of nocodazole-induced mitotic arrest, and spindle defects.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:30:47 GMT 2023
by
admin
on
Sat Dec 16 10:30:47 GMT 2023
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Record UNII |
8N349V9Q27
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Record Status |
Validated (UNII)
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Record Version |
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