For research use only. Not for therapeutic Use.
KRAS G12D inhibitor 1 (example 243) is a KRAS G12D inhibitor, with an IC50 of 0.8 nM for KRAS G12D-mediated ERK phosphorylation[1]. KRAS G12D inhibitor 1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
| Catalog Number | I044541 |
| CAS Number | 2621928-43-4 |
| Synonyms | 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynylnaphthalen-2-ol |
| Molecular Formula | C33H32F2N6O2 |
| Purity | ≥95% |
| InChI | InChI=1S/C33H32F2N6O2/c1-2-19-5-3-6-20-11-24(42)12-25(27(19)20)29-28(35)30-26(14-36-29)31(40-16-22-7-8-23(17-40)37-22)39-32(38-30)43-18-33-9-4-10-41(33)15-21(34)13-33/h1,3,5-6,11-12,14,21-23,37,42H,4,7-10,13,15-18H2/t21-,22?,23?,33+/m1/s1 |
| InChIKey | HQVNRYKTWPMSGZ-ADTQRWQWSA-N |
| SMILES | C#CC1=CC=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OCC78CCCN7CC(C8)F)O |
| Reference | [1]. WANG XIAOLUN (US), et al. KRAS G12D INHIBITORS. WO2021041671. |
