CDK12-IN-3

• CAT Number: I020078
• CAS Number: 2220184-50-7
• Molecular Formula: C₂₃H₂₈F₂N₈O
• Molecular Weight: 470.52
• Purity: ≥95%
• Storage: Store at -20°C
• IUPAC Name: 2-[(2S)-1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-propan-2-ylpurin-2-yl]piperidin-2-yl]ethanol
• InChI: InChI=1S/C23H28F2N8O/c1-13(2)33-12-27-20-21(26-11-17-28-16-7-6-15(24)18(25)19(16)29-17)30-23(31-22(20)33)32-9-4-3-5-14(32)8-10-34/h6-7,12-14,34H,3-5,8-11H2,1-2H3,(H,28,29)(H,26,30,31)/t14-/m0/s1
• InChIKey: KULPPFCRBINTBS-AWEZNQCLSA-N
• SMILES: CC(C)N1C=NC2=C(N=C(N=C21)N3CCCC[C@H]3CCO)NCC4=NC5=C(N4)C=CC(=C5F)F

CDK12-IN-3（Cat No.:I020078）is a selective inhibitor of cyclin-dependent kinase 12 (CDK12), an enzyme involved in regulating gene transcription and maintaining genome stability. By targeting CDK12, this compound disrupts the transcription of key DNA damage response genes, making cancer cells more vulnerable to DNA damage and enhancing the effectiveness of chemotherapy and other DNA-damaging agents. CDK12-IN-3 is primarily used in cancer research to explore therapeutic strategies for tumors with high genomic instability, providing a promising approach for developing novel anticancer treatments.

Reference

[1]. Johannes JW, et al. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem. 2018 Feb 6;13(3):231-235.