BAY-1436032

• CAS: 1803274-65-8
• Catalog Number: ACM1803274658
• Category: Inhibitors
• Molecular Weight: 489.54
• Molecular Formula: C26H30F3N3O3
• Description: BAY-1436032 is a potent, selective and orally available inhibitor of mutant Isocitrate Dehydrogenase 1 (mIDH1). BAY 1436032 is a double-digit nanomolar and selective pan-inhibitor of the enzymatic activity of various IDH1-R132X mutants in vitro and displayed potent inhibition of 2-HG release (nanomolar range) in patient derived and engineered cell lines expressing different IDH1 mutants. In line with the proposed mode of action, a concentration-dependent lowering of 2-HG was observed in vitro accompanied by differentiation and maturation of mIDH1 tumor cells. Furthermore, BAY 1436032 showed a favourable selectivity profile against wtIDH1/2 and a large panel of off-targets in vitro.
• Synonyms: BAY-1436032; BAY 1436032; BAY1436032
• IUPAC Name: 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid
• Canonical SMILES: O=C(O)CCC1=CC=C2N([C@H]3CC(C)(C)C[C@@H](C)C3)C(NC4=CC=C(OC(F)(F)F)C=C4)=NC2=C1
• InChI: InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1
• InChI Key: RNMAUIMMNAHKQR-QFBILLFUSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Biological Target: BAY-1436032 is an isocitrate dehydrogenase 1 (IDH1) inhibitor.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 63.79; H, 6.18; F, 11.64; N, 8.58; O, 9.80
• Exact Mass: 489.2239
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: In vitro, BAY1436032 specifically inhibited R-2HG production and colony growth, and induced myeloid differentiation of AML (acute myeloid leukemia) cells carrying IDH1R132H, IDH1R132C, IDH1R132G, IDH1R132L and IDH1R132S mutations. In addition, the compound affected DNA methylation and attenuated histone hypermethylation.; Reference: Leukemia. 2017 Oct;31(10):2020-2028. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5629366/
• In Vivo Activity: In vivo, oral administration of BAY1436032 led to leukemic blast clearance, myeloid differentiation, depletion of leukemic stem cells and prolonged survival in two independent patient-derived xenograft IDH1 mutant AML mouse models.; Reference: Leukemia. 2017 Oct;31(10):2020-2028. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5629366/
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).