SML0694

BX-795 hydrochloride

≥98% (HPLC)

• Synonym(s): N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-Pyrrolidinecarboxamide hydrochloride
• Empirical Formula (Hill Notation): C₂₃H₂₆IN₇O₂S · xHCl
• CAS Number: 702675-74-9
• Molecular Weight: 591.47 (free base basis)
• NACRES: NA.77
• UNSPSC Code: 12352200
• Assay: ≥98% (HPLC)
• Form: powder
• Storage condition: desiccated

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to light brown
• solubility: DMSO: 15 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: Cl.Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4cccs4
• InChI: 1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
• InChI key: VAVXGGRQQJZYBL-UHFFFAOYSA-N

Description

Application

BX-795 hydrochloride has been used to study the effect of kinase inhibition on human endogenous retroviruses (HERVs) transcription activation.

Biochem/physiol Actions

BX-795 is an inhibitor of TANK binding kinase 1 (TBK1) and IKB kinase epsilon (IKK epsilon)′

BX-795 was initially characterized as a potent inhbitor of 3-phosphoinositide-dependent kinase-1. Additional studies with BX-795 have shown that the molecule is also a potent dual inhibitor of IKKe and TBK1 which are known to regulate the expression of interferons via the phosphorylation of interferon regulatory factor 3 (IRF3).

BX-795 competes for the ATP (adenosine triphosphate) binding pocket of 3-phosphoinositide-dependent kinase-1 (PDK1) with its substrate ATP. In vitro assays reveal that BX-795 might inhibit Unc-51 (serine/threonine-protein kinase)-like autophagy activating kinase (ULK1).

Safety Information

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