| Identification | Back Directory | [Name]
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-3-[2-[[[[1-[(1-methyl-1H-imidazol-4-yl)methyl]-1H-indol-6-yl]methyl]amino]methyl]-1H-indol-3-yl]-, (3R)- | [CAS]
2375482-49-6 | [Synonyms]
(R)-BI-2852
(R)-5-hydroxy-3-(2-((((1-((1-methyl-1H-imidazol-4-yl)methyl)-1H-indol-6-yl)methyl)amino)methyl)-1H-indol-3-yl)isoindolin-1-one
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-3-[2-[[[[1-[(1-methyl-1H-imidazol-4-yl)methyl]-1H-indol-6-yl]methyl]amino]methyl]-1H-indol-3-yl]-, (3R)- | [Molecular Formula]
C31 H28 N6 O2 | [MOL File]
2375482-49-6.mol | [Molecular Weight]
516.59 |
| Chemical Properties | Back Directory | [Boiling point ]
906.5±65.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
8.95±0.40(Predicted) | [color ]
Off-white to light yellow |
| Hazard Information | Back Directory | [Uses]
(R)-BI-2852 is the isomer of BI-2852 (HY-126247), and can be used as an experimental control. BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells. | [References]
[1] Dirk Kessler, et al. Drugging all RAS isoforms with one pocket. FUTURE MEDICINAL CHEMISTRY
[2] Kessler D, et al. Drugging an undruggable pocket on KRAS. Proc Natl Acad Sci U S A. 2019 Aug 6; 116(32):15823-15829. DOI:10.1073/pnas.1904529116 |
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