XY028-133

• CAT Number: I017104
• CAS Number: 2229974-73-4
• Molecular Formula: C₅₃H₆₇N₁₁O₇S
• Molecular Weight: 1002.23
• Purity: ≥95%
• Storage: Store at -20°C, sealed storage, away from moisture and light
• IUPAC Name: (2S,4R)-1-[(2S)-2-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• InChI: InChI=1S/C53H67N11O7S/c1-32-40-29-56-52(60-48(40)64(37-12-10-11-13-37)50(70)45(32)34(3)65)58-42-21-20-38(28-54-42)61-22-24-62(25-23-61)44(68)15-9-7-8-14-43(67)59-47(53(4,5)6)51(71)63-30-39(66)26-41(63)49(69)55-27-35-16-18-36(19-17-35)46-33(2)57-31-72-46/h16-21,28-29,31,37,39,41,47,66H,7-15,22-27,30H2,1-6H3,(H,55,69)(H,59,67)(H,54,56,58,60)/t39-,41+,47-/m1/s1
• InChIKey: MWVNDEBEHBRZEC-WWTLGBROSA-N
• SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)CCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8CCCC8)C(=O)C

XY028-133（Cat No.:I017104）, also known as example 14, is a small molecule compound that functions as a proteolysis targeting chimera (PROTAC) to degrade cyclin-dependent kinases 4 and 6 (CDK4/6). It is designed to induce the degradation of CDK4/6 in cancer cells, leading to cell cycle arrest and tumor suppression. XY028-133 has shown potent anti-tumor activity in preclinical studies and has the potential to be developed as a therapeutic agent for cancer treatment.

Reference

[1]. JIN, Jian， et al. COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER. Patent. US2017/065027.