For research use only. Not for therapeutic Use.
6H05 TFA is a selective, and allosteric inhibitor of oncogenic mutant K-Ras(G12C).
IC50 value:
Target: K-Ras G12C
6H05 gives the greatest degree of modification, which allosterically modifies the oncogenic G12C mutant of highly homologous protein H-Ras without affecting wild-type K-Ras [1]. 6H05 can be used as an intermediate for the synthesis of other oncogenic K-Ras(G12C) inhibitors [2].
| Catalog Number | I020700 |
| CAS Number | 2061344-88-3 |
| Synonyms | 1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C22H31ClF3N3O4S3 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H30ClN3O2S3.C2HF3O2/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18;3-2(4,5)1(6)7/h3-6,16H,7-15H2,1-2H3,(H,22,26);(H,6,7) |
| InChIKey | YNMYIJSFFJXIRV-UHFFFAOYSA-N |
| SMILES | CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl.C(=O)(C(F)(F)F)O |
| Reference | [1]. Ostrem JM, et al. K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-51. [2]. Lu S, et al. Harnessing allostery: a novel approach to drug discovery. Med Res Rev. 2014 Nov;34(6):1242-85. |
