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Chemical structure of Dalpiciclib

GC63419

Dalpiciclib

Also known as 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

Dalpiciclib (SHR-6390) is an orally active and highly selective inhibitor of CDK4 and 6 with IC50 values of 12·4?nM and 9·9?nM, respectively· Dalpiciclib shows antitumor activity against breast cancer and esophageal squamous cell carcinoma

ChemicalCAS1637781-04-4MW446.54FormulaC25H30N6O2
CAS number
1637781-04-4
Molecular weight
446.54
Formula
C25H30N6O2
InChIKey
SGJLSPUSUBJWHO-UHFFFAOYSA-N
Catalogue number
GC63419
Brand
GLPBIO
Computed properties PubChem CID 86279927 · XLogP 2.5 · TPSA 100 Ų · H-bond donors 2
XLogP
2.5
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

SMILES CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C

Computed descriptors from PubChem (CID 86279927), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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