Dalpiciclib

Chemical Information
Dalpiciclib is a cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. Upon administration, dalpiciclib selectively inhibits cyclin-dependent kinase 4 (CDK4) and 6 (CDK6). This inhibits retinoblastoma (Rb) protein phosphorylation early in the G1 phase, which prevents CDK-mediated G1-S phase transition and leads to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of cell cycle progression.
| CAS Number | 1637781-04-4 |
| PubChem CID | 86279927 |
| IUPAC Name | 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one |
| Molecular Formula | C25H30N6O2 |
| Molecular Weight | 446.5 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 773 |
| Property | Value |
|---|---|
| Molecular Weight | 446.5 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.24302422 |
| Monoisotopic Mass | 446.24302422 |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 773 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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