For research use only. Not for therapeutic Use.
MRTX849 analog 24（Cat No.:I044557）is a structurally optimized derivative of MRTX849 (adagrasib), a covalent KRAS G12C inhibitor designed to improve potency, selectivity, or pharmacokinetic properties. Like its parent compound, analog 24 targets the mutant KRAS G12C protein by irreversibly binding to the cysteine residue in the switch II pocket, thereby inhibiting downstream MAPK signaling. This analog demonstrates enhanced antiproliferative activity in KRAS G12C-driven cancer models. It serves as a valuable research tool for structure-activity relationship (SAR) studies and may contribute to the development of next-generation targeted therapies in oncology.
| CAS Number | 2490716-96-4 |
| Synonyms | 2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-pent-4-ynylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile |
| Molecular Formula | C36H39ClFN7O2 |
| Purity | ≥95% |
| IUPAC Name | 2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-pent-4-ynylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile |
| InChI | InChI=1S/C36H39ClFN7O2/c1-3-4-5-17-42-18-8-11-28(42)24-47-36-40-31-23-43(32-13-7-10-26-9-6-12-30(37)33(26)32)19-15-29(31)34(41-36)44-20-21-45(35(46)25(2)38)27(22-44)14-16-39/h1,6-7,9-10,12-13,27-28H,2,4-5,8,11,14-15,17-24H2/t27-,28-/m0/s1 |
| InChIKey | YUPCFANWZUHYAJ-NSOVKSMOSA-N |
| SMILES | C=C(C(=O)N1CCN(C[C@@H]1CC#N)C2=NC(=NC3=C2CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)OC[C@@H]6CCCN6CCCC#C)F |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
