For research use only. Not for therapeutic Use.
SMD-3040 TFA is a selective degrader of SMARCA2. SMD-3040 TFA contains SMARCA2/4 ligands, linker and VHL ligands and can be used for PROTAC drug synthesis. SMD-3040 TFA exhibits strong tumor growth inhibition in tumor xenograft models[1].
| Catalog Number | I040278 |
| Synonyms | (2S,4R)-1-[(2S)-2-[[4-[[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C54H67F3N10O7S |
| Purity | ≥95% |
| InChI | InChI=1S/C52H66N10O5S.C2HF3O2/c1-31(34-14-16-35(17-15-34)45-32(2)54-30-68-45)56-49(66)43-22-39(63)27-61(43)50(67)46(51(3,4)5)57-48(65)36-12-10-33(11-13-36)25-60-28-52(29-60)20-18-38(19-21-52)62-26-37(24-55-62)41-23-42(58-59-47(41)53)40-8-6-7-9-44(40)64;3-2(4,5)1(6)7/h6-9,14-17,23-24,26,30-31,33,36,38-39,43,46,63-64H,10-13,18-22,25,27-29H2,1-5H3,(H2,53,59)(H,56,66)(H,57,65);(H,6,7)/t31-,33?,36?,39+,43-,46+;/m0./s1 |
| InChIKey | ILDTYGWNXVGJBL-SIBBLWDESA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4CCC(CC4)CN5CC6(C5)CCC(CC6)N7C=C(C=N7)C8=CC(=NN=C8N)C9=CC=CC=C9O)O.C(=O)(C(F)(F)F)O |
| Reference | [1]. Yang L, et.al. Discovery of SMD-3040 as a Potent and Selective SMARCA2 PROTAC Degrader with Strong in vivo Antitumor Activity. J Med Chem. 2023 Jul 31. |
