SML3843

BAY-985

≥98% (HPLC)

• Synonym(s): (R)-1-(4-(1-(2-(6-(6-(Dimethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)pyridin-4-yl)ethyl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one, 1-(4-{(1R)-1-[2-({6-[6-(Dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl}amino)-pyridin-4-yl]ethyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one, BAY 985, BAY985
• Empirical Formula (Hill Notation): C₂₇H₃₀F₃N₉O
• CAS Number: 2409479-29-2
• Molecular Weight: 553.58
• MDL number: MFCD32690108
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: O=C(CC(F)(F)F)N1CCN(CC1)[C@H](C)C2=CC(NC3=NC4=CC=C(C=C4N3)C5=NC=NC(N(C)C)=C5)=NC=C2
• InChI: 1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
• InChI key: HZRJHVDNTDBTOZ-QGZVFWFLSA-N

Description

Biochem/physiol Actions

ATP-competitive, potent and selective inhibitor against TANK-binding kinase 1 (TBK1) and IKKe.

BAY-985 is an ATP-competitive, potent and selective inhibitor against IκB kinase members TANK-binding kinase 1 (TBK1 IC50 = 2/30 nM with 10 μM/1 mM ATP) and IKK-epsilon (IKKε IC50 = 2 nM with 10 μM ATP) with 60-, 138-, 155, and ~4000-fold lower potency toward FLT3, RSK4, DRAK1, and ULK1, respectively. BAY-985 potently inhibits cellular interferon regulatory factor 3 phosphorylation (pIRF3 IC50 = 74 nM) and displays antiproliferation efficacy in human melanoma SK-MEL-2 cultures (IC50 = 900 nM). When administered orally (200 mg/kg bid. po.), BAY-985 suppresses SK-MEL-2 xengraft-derived tumor growth in mice in vivo (T/C tumor weight ratio = 0.6).

Safety Information

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