For research use only. Not for therapeutic Use.
KRASG12D-IN-1 (compound 22) is a KRASG12D Inhibitor. KRASG12D-IN-1 has dose-dependent anti-tumor efficacy in the AsPC-1 xenograft mouse models with a tumor growth inhibition[1].
| Catalog Number | I040272 |
| Synonyms | 4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[dideuterio-[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol |
| Molecular Formula | C34H28D2F4N6O2 |
| Purity | ≥95% |
| InChI | InChI=1S/C34H30F4N6O2/c1-2-23-26(35)7-4-18-10-22(45)11-24(27(18)23)29-28(36)30-25(13-39-29)32(43-15-20-5-6-21(16-43)40-20)42-33(41-30)46-17-34-8-3-9-44(34)14-19(12-34)31(37)38/h1,4,7,10-11,13,20-21,40,45H,3,5-6,8-9,12,14-17H2/t20-,21+,34?/i17D2 |
| InChIKey | CPGQPOXVSPWIPH-OSKRIYFASA-N |
| SMILES | C#CC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OCC78CCCN7CC(=C(F)F)C8)O)F |
| Reference | [1]. Xiao X, et al. Design, Synthesis, and Pharmacological Evaluation of Multisubstituted Pyrido[4,3-d]pyrimidine Analogues Bearing Deuterated Methylene Linkers as Potent KRASG12D Inhibitors. J Med Chem. 2023 Nov 3. |
