For research use only. Not for therapeutic Use.
PROTAC SOS1 degrader-1 (TFA) is a potent PROTAC SOS1 degrader with an DC50 of 98.4 nM. PROTAC SOS1 degrader-1 shows antiproliferation activity in cancer cells with various KRAS mutations. PROTAC SOS1 degrader-1 shows antitumor effect with low toxicity[1].
| Catalog Number | I040221 |
| Synonyms | (2S,4R)-1-[(2S)-2-[9-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]nonanoylamino]-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 | C59H77ClF4N10O6S |
| Purity | ≥95% |
| InChI | InChI=1S/C57H76ClFN10O4S.C2HF3O2/c1-36-24-40(25-37(2)49(36)59)29-69-46-27-43(58)26-45(50(46)64-55(69)67-33-57(34-67)31-60-32-57)66-22-20-65(21-23-66)19-13-11-9-8-10-12-14-48(71)63-52(56(5,6)7)54(73)68-30-44(70)28-47(68)53(72)62-38(3)41-15-17-42(18-16-41)51-39(4)61-35-74-51;3-2(4,5)1(6)7/h15-18,24-27,35,38,44,47,52,60,70H,8-14,19-23,28-34H2,1-7H3,(H,62,72)(H,63,71);(H,6,7)/t38-,44+,47-,52+;/m0./s1 |
| InChIKey | JNOOFFJZFLFLJN-CTTXDXGYSA-N |
| SMILES | CC1=CC(=CC(=C1F)C)CN2C3=C(C(=CC(=C3)Cl)N4CCN(CC4)CCCCCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NC(C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)N=C2N8CC9(C8)CNC9.C(=O)(C(F)(F)F)O |
| Reference | [1]. Zhou C, et al. Discovery of the First-in-Class Agonist-Based SOS1 PROTACs Effective in Human Cancer Cells Harboring Various KRAS Mutations. J Med Chem. 2022 Mar 10;65(5):3923-3942. |
