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(CAS: 2201897-02-9)

Suppliers of CDK4-IN-1

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Background Information of CDK4-IN-1

CDK4-IN-1 (Compound 5b) is a CDK4 inhibitor with an IC50 of 26 nM. CDK4 forms a complex with cyclinD1, which is an important component of cell cycle activation and controls the key progression step, G1 phase, where cells grow and synthesize proteins in preparation for DNA synthesis.

Solubility of CDK4-IN-1

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Storage Condition of CDK4-IN-1

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Mechanism and Indications

Signaling Pathways Cell Cycle/DNA Damage
Target CDK
Research Area Cancer

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase

Chemical Information

M.Wt Formula CAS No. Synonyms
534.65 C29H38N6O4 2201897-02-9 Compound 5b

Structure Information of CDK4-IN-1

Smiles C(OC)(=O)CCCCCCC(NC1=CC=CC(NC2=NC=C3C=C(C(=O)N(C)C)N(C4CCCC4)C3=N2)=C1)=O
InChI InChI=1S/C29H38N6O4/c1-34(2)28(38)24-17-20-19-30-29(33-27(20)35(24)23-13-8-9-14-23)32-22-12-10-11-21(18-22)31-25(36)15-6-4-5-7-16-26(37)39-3/h10-12,17-19,23H,4-9,13-16H2,1-3H3,(H,31,36)(H,30,32,33)

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Other Form Products of CDK4-IN-1

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LEE011 (hydrochloride) 1211443-80-9 C23H31ClN8O 8
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Purvalanol B 212844-54-7 C20H25ClN6O3 22

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Chemical and Physical Properties

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[1].Li Y, et al. Discovery of N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d]pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide as a Novel Inhibitor Targeting Cyclin-dependent Kinase 4/9 (CDK4/9) and Histone Deacetlyase1 (HDAC1) against Malignant Cancer. J Med Chem. 2018 Apr 12;61(7):3166-3192.
A series of novel, highly potent, selective inhibitors targeting both CDK4/9 and HDAC1 have been designed and synthesized. N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d] pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide (6e) was discovered. The lead compound 6e with excellent CDK4/9 and HDAC1 inhibitory activity of IC50 = 8.8, 12, and 2.2 nM, respectively, can effectively induce apoptosis of cancer cell lines. The kinase profiling of compound 6e showed excellent selectivity and specificity. Compound 6e induces G2/M arrest in high concentration and G0/G1 arrest in low concentration to prevent the proliferation and differentiation of cancer cells. Mice bared-breast cancer treated with 6e showed significant antitumor efficacy. The insight into mechanisms of 6e indicated that it could induce cancer cell death via cell apoptosis based on CDK4/9 and HDAC1 repression and phosphorylation of p53. Our data demonstrated the novel compound 6e could be a promising drug candidate for cancer therapy.

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