Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H22N6O3S |
| Molecular Weight | 402.471 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C4NC=NC4=N2)C=C1
InChI
InChIKey=OWXORKPNCHJYOF-UHFFFAOYSA-N
InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
| Molecular Formula | C18H22N6O3S |
| Molecular Weight | 402.471 |
| 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/19426695 | https://www.ncbi.nlm.nih.gov/pubmed/12244298Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21570822
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19426695 | https://www.ncbi.nlm.nih.gov/pubmed/12244298
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21570822
NU6102 is a potent CDK1/cyclin B and CDK2/cyclin A3 inhibitor (IC50 values are 9.5 and 5.4 nM for CDK1/cyclin B and CDK2/cyclin A3 respectively). Antiproliferative agent. Induces G2/M cell cycle arrest. Shows antitumor effects in vivo. NU6102 and its prodrug NU6301 have pharmacological properties consistent with CDK2 inhibition, and represent useful tool molecules for the evaluation of CDK2 as a target in cancer.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. | 2002 Oct |
|
| Study of a ligand complexed with Cdk2/Cdk4 by computer simulation. | 2005 Nov |
|
| The kinase inhibitor O6-cyclohexylmethylguanine (NU2058) potentiates the cytotoxicity of cisplatin by mechanisms that are independent of its effect upon CDK2. | 2009 May 15 |
|
| Preclinical in vitro and in vivo evaluation of the potent and specific cyclin-dependent kinase 2 inhibitor NU6102 and a water soluble prodrug NU6301. | 2011 Sep |
Patents
Sample Use Guides
Mice: Mice were
treated with either the maximum administrable dose of
NU6102 i.p. (10 mg/kg in a vehicle of 40% (v/v) polyethylene
glycol400) or i.v. (1 mg/kg i.v. in a vehicle of 10% (v/v) polyethylene
glycol400), or a dose of 10 mg/kg NU6301, equivalent to 8.4 mg/kg NU6102, in sterile saline for both i.v. and i.p.
administration.
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:58:35 GMT 2023
by
admin
on
Sat Dec 16 09:58:35 GMT 2023
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| Record UNII |
X5J53DR704
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| Record Status |
Validated (UNII)
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