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Merck

SML0694

Sigma-Aldrich

BX-795 hydrochloride

≥98% (HPLC)

Sinónimos:

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

Fórmula empírica (notación de Hill):
C23H26IN7O2S · xHCl
Número de CAS:
Peso molecular:
591.47 (free base basis)
Código UNSPSC:
12352200
NACRES:
NA.77

Nivel de calidad

Ensayo

≥98% (HPLC)

Formulario

powder

condiciones de almacenamiento

desiccated

color

white to light brown

solubilidad

DMSO: 15 mg/mL, clear

temp. de almacenamiento

2-8°C

cadena SMILES

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)

Clave InChI

VAVXGGRQQJZYBL-UHFFFAOYSA-N

Aplicación

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

Acciones bioquímicas o fisiológicas

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).
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).

Código de clase de almacenamiento

11 - Combustible Solids

Clase de riesgo para el agua (WGK)

WGK 3

Punto de inflamabilidad (°F)

Not applicable

Punto de inflamabilidad (°C)

Not applicable


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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)
Nagarjuna R Cheemarla et al.
medRxiv : the preprint server for health sciences (2021-02-04)
The interferon response is a potent antiviral defense mechanism, but its effectiveness depends on its timing relative to viral replication. Here, we report viral replication and host response kinetics in patients at the start of SARS-CoV-2 infection and explore the
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)
Compound signaling activates endogenous retroviruses by inducing enhancer and gene-neighborhood transcription.
Azebi S, et al.
bioRxiv, 284695-284695 (2018)
Lin Lin et al.
Cell reports, 33(8), 108426-108426 (2020-11-26)
Gene expression is controlled by the collective binding of transcription factors to cis-regulatory regions. Deciphering gene-centered regulatory networks is vital to understanding and controlling gene misexpression in human disease; however, systematic approaches to uncovering regulatory networks have been lacking. Here

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