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Details

Stereochemistry ACHIRAL
Molecular Formula C20H28N6O3
Molecular Weight 400.4747
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CVT-313

SMILES

COC1=CC=C(CNC2=C3N=CN(C(C)C)C3=NC(=N2)N(CCO)CCO)C=C1

InChI

InChIKey=NQVIIUBWMBHLOZ-UHFFFAOYSA-N
InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)

HIDE SMILES / InChI

Molecular Formula C20H28N6O3
Molecular Weight 400.4747
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/25175461 | https://www.ncbi.nlm.nih.gov/pubmed/26986210

CVT 313 is the lead compound in a series of small molecule cell cycle inhibitors that inhibit cyclin-dependent kinase 2 (CDK2). It was in development with CV Therapeutics in the USA. CVT 313, in combination with drug delivery catheters and as coatings on endoluminal stents, may have potential in the prevention of restenosis. In February 1998, CV Therapeutics signed a research agreement with The Cleveland Clinic Foundation for the preclinical testing of CVT 313. In February 1999 CV Therapeutics announced the granting of a patent for purine inhibitors of CDK2 by the USA Patent and Trademark Office. No recent development of CVT 313 has been reported.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.5 µM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
2007 Dec 18
Retinoblastoma protein modulates the inverse relationship between cellular proliferation and elastogenesis.
2011 Oct 21
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
2011 Oct 30
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
2013 Apr 15
Patents

Sample Use Guides

The exposure of the denuded carotid artery to the hydrochloride salt of CVT-313 in saline solution (1.25 mg/kg) for 15 min under pressure, reduced neointima formation by 80%. Two lower doses of CVT-313 (0.75 and 0.25 mg/kg) were less efficacious, reducing mean neointimal area by about 30%. Representative sections from experimental rat carotid arteries 14 days after endothelial denudation demonstrate the efficacy of CVT-313 in blocking restenosis in the rat carotid model.
Route of Administration: Intra-arterial
In Vitro Use Guide
Human (A2058, Caco-2, Capan-1, MCF-7, MRC-5, Panc1) and murine (L1210, P-388D1) cell lines were treated with CVT 313 for 48 hours. The IC50 for growth inhibition ranged from 1.25 to 20 mkM.
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:34:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:34:34 GMT 2023
Record UNII
T5490K8I7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CVT-313
Common Name English
NG-36
Code English
ETHANOL, 2,2'-((6-(((4-METHOXYPHENYL)METHYL)AMINO)-9-(1-METHYLETHYL)-9H-PURIN-2-YL)IMINO)BIS-
Systematic Name English
Code System Code Type Description
PUBCHEM
6918386
Created by admin on Sat Dec 16 09:34:34 GMT 2023 , Edited by admin on Sat Dec 16 09:34:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID30173812
Created by admin on Sat Dec 16 09:34:34 GMT 2023 , Edited by admin on Sat Dec 16 09:34:34 GMT 2023
PRIMARY
FDA UNII
T5490K8I7S
Created by admin on Sat Dec 16 09:34:34 GMT 2023 , Edited by admin on Sat Dec 16 09:34:34 GMT 2023
PRIMARY
CAS
199986-75-9
Created by admin on Sat Dec 16 09:34:34 GMT 2023 , Edited by admin on Sat Dec 16 09:34:34 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY