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222035-13-4

222035-13-4 Structure

222035-13-4 Structure
IdentificationBack Directory
[Name]

CDK2 INHIBITOR II
[CAS]

222035-13-4
[Synonyms]

SC 221409
COMPOUND 3
CDK2 INHIBITOR II
[Molecular Formula]

C14H11BrN4O3S
[MDL Number]

MFCD03456380
[MOL File]

222035-13-4.mol
[Molecular Weight]

395.23
Chemical PropertiesBack Directory
[Melting point ]

>272°C (dec.)
[density ]

1.85±0.1 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

8.81±0.20(Predicted)
[color ]

Light Orange to Orange
[InChI]

InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
[InChIKey]

ODZNNZYRBRRREX-UHFFFAOYSA-N
[SMILES]

C1(S(N)(=O)=O)=CC=C(NN=C2C3=C(NC2=O)C=CC(Br)=C3)C=C1
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

The cyclin-dependent kinase 2 (Cdk2) works with cyclins A or E to regulate S phase and G2-M transition during the cell cycle. Cdk2 Inhibitor II is a 3-(benzylidne)indolin-2-one analog that selectively and potently inhibits Cdk2 (IC50 = 60 nM). It is cell permeable, reversible, and ATP-competitive.
[Uses]

CDK2 inhibitor II, is a potent, cell-permeable, ATP-competitive, and selective inhibitor of Cdk2.
[in vivo]

CDK2-IN-3 (2.5-250 μg, topical application, once daily, for 1 week) significantly reduces the incidence of alopecia in neonatal rat model induced by the combination of cyclophosphamide (HY-17420) and doxorubicin (HY-15142A)[1].

Animal Model:Cyclophosphamide (HY-17420)-Doxorubicin (HY-15142A) combination chemotherapy-induced alopecia neonatal Sprague-Dawley rat model (13 days)
Dosage:2.5-250 μg
Administration:Topical application, once daily for 1 week
Result:Effectively prevented alopecia in 50% of rats and provided partial protection in an additional 20%.
[IC 50]

CDK2: 60 nM (IC50)
[References]

[1] FUNK J. Cell Cycle Checkpoint Genes and Cancer[C]. 2006: 0. DOI: 10.1038/npg.els.0006046
[2] STEPHEN T. DAVIS, JR. Prevention of Chemotherapy-Induced Alopecia in Rats by CDK Inhibitors[J]. Science, 2001, 291 5501. DOI: 10.1126/science.291.5501.134
Spectrum DetailBack Directory
[Spectrum Detail]

CDK2 INHIBITOR II(222035-13-4)1HNMR
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