For research use only. Not for therapeutic Use.
K-Ras G12C-IN-4, compound 1, is a potent Covalent Inhibitor of KRASG12C[1].
K-Ras G12C-IN-4 (4 hours) exhibits IC50=0.219 μM for inhibition of MAPK signaling (p-ERK) in MIA PaCa-2 cells[1].
K-Ras G12C-IN-4 (72 hours) translates to a 0.067 μM IC50 for inhibition of cellular viability in a CellTiter-Glo experiment in MIA PaCa-2 cells[1].
| Catalog Number | I017826 |
| CAS Number | 2376328-55-9 |
| Synonyms | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-methylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide |
| Molecular Formula | C31H33ClN4O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C31H33ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h4-7,12-13,19,22H,1,8-11,14-17H2,2-3H3,(H,33,37) |
| InChIKey | JESBUJUEMLEHDQ-UHFFFAOYSA-N |
| SMILES | CC1=CC(=CC2=C1N(C(=C2C(=O)N3CCC4=C(C3)C=CC=C4OC)C5CC5)CC(=O)NC6CN(C6)C(=O)C=C)Cl |
| Reference | [1]. Shin Y, et al. Discovery of N-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. ACS Med Chem Lett. 2019 Aug 20;10(9):1302-1308. |
