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MRTX849
- Adagrasib
Axon 4036
CAS:
2326521-71-3
- Optical Purity: Optically pure
- Soluble in 0.1N HCl(aq) and DMSO
- MF: C32H35ClFN7O2
- MW: 604.12
Description
MRTX849 is an orally available, potent, mutation-selective, and irreversible covalent inhibitor of KRAS-G12C, currently under evaluation as antitumor therapies by modulating KRAS-dependent signal transduction as a single agent, or in combination of with SHP2 inhibitor TNO155.
More Information
| Parent CAS No. | 2326521-71-3 |
|---|---|
| Chemical Name | 2-((S)-4-(7-(8-Chloronaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-(2-fluoroacryloyl)piperazin-2-yl)acetonitrile |
| SMILES | C12CCN(C3C4C(Cl)=CC=CC=4C=CC=3)CC=1N=C(OC[C@@H]1CCCN1C)N=C2N1C[C@H](CC#N)N(C(C(=C)F)=O)CC1 |&1:21,31,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1 |
| InChiKey | PEMUGDMSUDYLHU-ZEQRLZLVSA-N |
| CID | 138611145 |
| Short Description | KRAS-G12C inhibitor |
References
- J Hallin et al. The KRASG12C Inhibitor MRTX849 Provides Insight toward Therapeutic Susceptibility of KRAS-Mutant Cancers in Mouse Models and Patients. Cancer Discov. 2020 Jan;10(1):54-71.
- JB Fell et al. Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer. J Med Chem. 2020 Jul 9;63(13):6679-6693.
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