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
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About This Item
Empirical Formula (Hill Notation):
C23H26IN7O2S · xHCl
CAS Number:
Molecular Weight:
591.47 (free base basis)
NACRES:
NA.77
UNSPSC Code:
12352200
Quality Level
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
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).
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Compound signaling activates endogenous retroviruses by inducing enhancer and gene-neighborhood transcription.
Azebi S, et al.
bioRxiv, 284695-284695 (2018)
Richard I Feldman et al.
The Journal of biological chemistry, 280(20), 19867-19874 (2005-03-18)
The phosphoinositide 3-kinase/3-phosphoinositide-dependent kinase 1 (PDK1)/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumor angiogenesis and represents a promising target for anticancer drugs. Here, we describe three potent PDK1 inhibitors, BX-795, BX-912, and BX-320 (IC(50)
Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1.
Lazarus M B and Kevan M S
Bioorganic & Medicinal Chemistry, 23(17), 5483-5488 (2015)