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Chemical structure of Cdc7-IN-5

GC62427

Cdc7-IN-5

Also known as ethyl 4-hydroxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate

Cdc7-IN-5 (compound I-B) is a potent Cdc7 kinase inhibitor extracted from patent WO2019165473A1, compound I-B· Cdc7 is a serine-threonine protein kinase enzyme which is essential for the initiation of DNA replication in the cell cycle

ChemicalCAS1402057-86-6MW445.47FormulaC25H23N3O5
CAS number
1402057-86-6
Molecular weight
445.47
Formula
C25H23N3O5
Solubility
DMSO ： 12·5 mg/mL (28·06 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JSRLUFXDTSIAKH-UHFFFAOYSA-N
Catalogue number
GC62427
Brand
GLPBIO
Computed properties PubChem CID 136338209 · XLogP 3.9 · TPSA 97.4 Ų · H-bond donors 1
XLogP
3.9
TPSA
97.4 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES CCOC(=O)C1=C(OC(=C1O)C=C2C=NC3=C2C=CC=N3)N4CCC5=C(C4)C=C(C=C5)OC

Computed descriptors from PubChem (CID 136338209), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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