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Chemical structure of Cdc7-IN-1

GC35628

Cdc7-IN-1

Also known as ethyl 2-(2-chloroanilino)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate

Cdc7-IN-1 (Compound 13) is a highly potent, selective and ATP competitive inhibitor of Cdc7 kinase, with an IC50 value of 0·6 nM at 1 mM ATP and with slow off-rate characteristics· Cdc7-IN-1 potently inhibits Cdc7 activity in cancer cells, and effectively induces cell death

ChemicalCAS1402055-25-7MW409.82FormulaC21H16ClN3O4
CAS number
1402055-25-7
Molecular weight
409.82
Formula
C21H16ClN3O4
Solubility
DMSO: 5·2 mg/mL (12·69 mM)
InChIKey
MNEODYFHQBZJNQ-ZRDIBKRKSA-N
Catalogue number
GC35628
Brand
GLPBIO
Computed properties PubChem CID 136230445 · XLogP 4.4 · TPSA 97 Ų · H-bond donors 2
XLogP
4.4
TPSA
97 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29

SMILES CCOC(=O)C1=C(OC(=C1O)/C=C/2\C=NC3=C2C=CC=N3)NC4=CC=CC=C4Cl

Computed descriptors from PubChem (CID 136230445), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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