For research use only. Not for therapeutic Use.
JPS016 is a benzamide-based Von Hippel-Lindau (VHL) E3-ligase proteolysis targeting chimeras (PROTAC). JPS016 degrades class I histone deacetylase (HDAC). JPS016 is potent HDAC1/2 degrader correlated with greater total differentially expressed genes and enhanced apoptosis in HCT116 cells[1].
| Catalog Number | I040831 |
| Synonyms | (2S,4R)-1-[(2S)-2-[[2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C50H64F3N7O10S |
| Purity | ≥95% |
| InChI | InChI=1S/C48H63N7O8S.C2HF3O2/c1-32-43(64-31-51-32)34-18-16-33(17-19-34)27-50-46(60)40-26-37(56)28-55(40)47(61)44(48(2,3)4)54-42(58)30-63-25-13-9-7-5-6-8-12-24-62-29-41(57)52-36-22-20-35(21-23-36)45(59)53-39-15-11-10-14-38(39)49;3-2(4,5)1(6)7/h10-11,14-23,31,37,40,44,56H,5-9,12-13,24-30,49H2,1-4H3,(H,50,60)(H,52,57)(H,53,59)(H,54,58);(H,6,7)/t37-,40+,44-;/m1./s1 |
| InChIKey | BGRMJDPESDCFLV-JRFLAUIYSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCCCCCCCCOCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)O.C(=O)(C(F)(F)F)O |
| Reference | [1]. Smalley JP, et al. Optimization of Class I Histone Deacetylase PROTACs Reveals that HDAC1/2 Degradation is Critical to Induce Apoptosis and Cell Arrest in Cancer Cells. J Med Chem. 2022;65(7):5642-5659. |
