For research use only. Not for therapeutic Use.
MRTX849 acid（Cat No.:I044409）is the active carboxylic acid form of MRTX849 (adagrasib), a covalent inhibitor targeting the KRAS G12C mutant, a key oncogenic driver in various cancers, including non-small cell lung and colorectal cancers. This compound irreversibly binds to the cysteine residue in the KRAS G12C mutant, locking it in an inactive GDP-bound state and blocking downstream MAPK signaling. MRTX849 acid is used in preclinical studies to assess pharmacokinetics, metabolism, and target engagement. It supports research into precision oncology and KRAS-driven tumor biology with high selectivity and potency.
| CAS Number | 2561529-96-0 |
| Synonyms | 3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propanoic acid |
| Molecular Formula | C34H37ClFN7O4 |
| Purity | ≥95% |
| IUPAC Name | 3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propanoic acid |
| InChI | InChI=1S/C34H37ClFN7O4/c1-22(36)33(46)43-18-17-42(19-24(43)10-13-37)32-26-11-15-41(29-9-3-6-23-5-2-8-27(35)31(23)29)20-28(26)38-34(39-32)47-21-25-7-4-14-40(25)16-12-30(44)45/h2-3,5-6,8-9,24-25H,1,4,7,10-12,14-21H2,(H,44,45)/t24-,25-/m0/s1 |
| InChIKey | CWTHNCSWSDACRS-DQEYMECFSA-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]6CCCN6CCC(=O)O)F |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
