SML2842

BAY 1125976

≥98% (HPLC)

• Synonym(s): 2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide, BAY-1125976, BAY1125976
• Empirical Formula (Hill Notation): C₂₃H₂₁N₅O
• CAS Number: 1402608-02-9
• Molecular Weight: 383.45
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD30481340
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: [n]21nc(ccc2nc(c1c5ccccc5)c3ccc(cc3)C4(CCC4)N)C(=O)N
• InChI: 1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)
• InChI key: JBGYKRAZYDNCNV-UHFFFAOYSA-N

Description

Biochem/physiol Actions

BAY 1125976 is an orally active, potent and highly selective AKT1/2 allosteric inhibitor (IC₅₀ = 5.2/18 nM with 10 μM ATP, IC₅₀ = 44/36 nM with 2 mM ATP; AKT3 IC₅₀ = 427 nM with 10 μM ATP) that targets a pocket formed by the kinase & PH domain. BAY 1125976 reduces basal AKT T308/S473 phosphorylation (IC₅₀ = 0.9/1.1; KPL-4 cells) and exhibits anti-cancer efficacy in cultures (IC₅₀ = 0.02-10 μM, 23 human cancer lines) and in xenograft models in vivo (25, 50 mg/kg/day or 5, 15, 25 mg/kg bid. po.; mice), including breast cancers (KPL4 PIK3CAH1074R mutant, MCF7, HBCx-2), AKTE17K-driven prostate cancer LAPC-4, and anal cancer AXF 984.

Orally active, potent and highly selective AKT1/2 allosteric inhibitor with anti-cancer efficacy in cultures and in murine xenograft models in vivo.

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable