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Chemical structure of Cdk1/2 Inhibitor III

GC14294

Cdk1/2 Inhibitor III

Also known as 5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide

Cdk1/2 Inhibitor III is a potent CDK1 and CDK2 inhibitor with IC50s of 0·6 nM and 0·5 nM for CDK1/cyclin B and CDK2/cyclin A, respectively· Cdk1/2 Inhibitor III is also a potent CDC2-like kinase 1 (CLK1) and CLK3 inhibitor with IC50s of 8·9 nM and 29·2 nM, respectively

ChemicalCAS443798-47-8MW425.4FormulaC15H13F2N7O2S2
CAS number
443798-47-8
Molecular weight
425.4
Formula
C15H13F2N7O2S2
Solubility
≤10mg/ml in DMSO
InChIKey
ARIOBGGRZJITQX-UHFFFAOYSA-N
Catalogue number
GC14294
Brand
GLPBIO
Computed properties PubChem CID 5330812 · XLogP 2.2 · TPSA 181 Ų · H-bond donors 4
XLogP
2.2
TPSA
181 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
28

SMILES C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

Computed descriptors from PubChem (CID 5330812), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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