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Dalpiciclib

CAT: 0931-T9636-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9636-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1637781-04-4
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9969
Bioactivity
Dalpiciclib (SHR-6390) is a highly selective, orally bioavailable, and comparable potency inhibitor of CDK4 and CKD6 with IC50s of 12.4 nM and 9.9 nM, respectively. Dalpiciclib exerts potent antitumor activity in esophageal squamous cell carcinoma by inhibiting phosphorylated tumor suppressor retinoblastoma protein (Rb) and inducing G1 cell cycle arrest.
Smiles
O=C1N(C=2C(C(C)=C1C(C)=O)=CN=C(NC3=CC=C(C=N3)C4CCNCC4)N2)C5CCCC5
Molecular Formula
C25H30N6O2
Molecular Weight
446.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dalpiciclib

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 Number1637781-04-4
PubChem CID86279927
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC25H30N6O2
Molecular Weight446.5
XLogP2.5
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity773
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C
InChI
InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)
InChIKey
SGJLSPUSUBJWHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dalpiciclib
CAS: 1637781-04-4
CID: 86279927
Formula: C25H30N6O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass446.24302422
Monoisotopic Mass446.24302422
Topological Polar Surface Area100 Ų
Heavy Atom Count33
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C01416-5mgDalpiciclib
HY-114338BDalpiciclib (isethionate)
MBS5805873Dalpiciclib hydrochloride
HY-114338A-01Dalpiciclib (hydrochloride)
GTR19273263-01Dalpiciclib isethionate
535189Dalpiciclib free base

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