(S,R,S)-AHPC-amido-C5-acid

• CAT Number: I016940
• CAS Number: 2162120-87-6
• Molecular Formula: C29H40N4O6S
• Molecular Weight: 572.72
• Purity: ≥95%
• Synonyms: 7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoic acid
• InChI: InChI=1S/C29H40N4O6S/c1-18-25(40-17-31-18)20-12-10-19(11-13-20)15-30-27(38)22-14-21(34)16-33(22)28(39)26(29(2,3)4)32-23(35)8-6-5-7-9-24(36)37/h10-13,17,21-22,26,34H,5-9,14-16H2,1-4H3,(H,30,38)(H,32,35)(H,36,37)/t21-,22+,26-/m1/s1
• InChIKey: LYAMSRXTXVKKIC-TVZXLZGTSA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCC(=O)O)O

(S,R,S)-AHPC-amido-C5-acid incorporates a VHL ligand for the E3 ubiquitin ligase, and a PROTAC linker. (S,R,S)-AHPC-amido-C5-acid can be used to design XY028-133 (HY-129180)[1].

Reference

[1]. Jian Jin, et al. Compositions and methods for treating cdk4/6-mediated cancer. WO2018106870A1.