For research use only. Not for therapeutic Use.
Divarasib (GDC-6036) is an orally bioavailable, highly potent, and selective KRAS G12C inhibitor with an IC50 of <0.01 μM. Divarasib covalently binds to the switch II (SW-II) pocket of KRAS G12C and irreversibly locks it in the inactive GDP-bound state.
Divarasib (compound 17a) has an EC50 of 2 nM in K-Ras G12C-alkylation HCC1171 cells[2]
Divarasib (10-100 mg/kg/day; PO for 7 days) decreases the ratio of free KRAS G12C[1].
| Catalog Number | I043967 |
| CAS Number | 2417987-45-0 |
| Synonyms | 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one |
| Molecular Formula | C29H32ClF4N7O2 |
| Purity | ≥95% |
| InChI | InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1 |
| InChIKey | ZRBPIAWWRPFDPY-IRXDYDNUSA-N |
| SMILES | CC1CN(CCN1C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=C(C(=CC(=N4)N)C)C(F)(F)F)F)OCC5CCCN5C)C(=O)C=C |
| Reference | [1]. Lingyao Meng, et al. Assessment of KRAS G12C Target Engagement by a Covalent Inhibitor in Tumor Biopsies Using an Ultra-Sensitive Immunoaffinity 2D-LC-MS/MS Approach. Anal Chem. 2022 Sep 20;94(37):12927-12933. [2]. Sushant Malhotra, et al. Fused ring compounds. WO2020097537A2. |
