SML2971

K03861

≥98% (HPLC)

• Synonym(s): 1-[4-(2-Aminopyrimidin-4-yloxy)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-trifluoromethylphenyl]urea, AUZ 454, AUZ-454, AUZ454, CCG 269702, CCG-269702, CCG269702, K 03861, K-03861, N-[4-[(2-Amino-4-pyrimidinyl)oxy]phenyl]-N′-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]urea
• Empirical Formula (Hill Notation): C₂₄H₂₆F₃N₇O₂
• CAS Number: 853299-07-7
• Molecular Weight: 501.50
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD19443769
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: FC(F)(F)c1c(ccc(c1)NC(=O)Nc3ccc(cc3)Oc4n[c]([nH]cc4)=N)CN2CCN(CC2)C
• InChI: 1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
• InChI key: PWDLXPJQFNVTNL-UHFFFAOYSA-N

Description

Biochem/physiol Actions

ATP site-binding, cyclin-competitive, type II CDK2 inhibitor that selectively targets the DFG-out conformation.

K03861 is an ATP site-binding, cyclin-competitive, type II CDK2 inhibitor that selectively targets and locks the kinase in its inactive DFG-out conformation (CDK2 Kd = 50 nM, DFG-out stabilizing CDK2-C118L/A144C mutant Kd = 9.7 nM without vs. 134.1 nM with bound cycB; CDK2-C118L/A144C-cycA IC50 = 0.8 μM), rendering it incompatible for cyclin bining. K03861 selectively inhibits CDK2-C118L/A144C over CycA-bound wt CDK2 by in vitro kinase assay (IC50 = 0.8 vs. >10 μM) and inhibits the proliferation of immortalized multipotent otic progenitor (iMOP) murine cell line (by 81% and 92%, resepectively, at 0.1 and 1.0 μM).

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable