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Documentos Principais

SML0694

Sigma-Aldrich

BX-795 hydrochloride

≥98% (HPLC)

Sinônimo(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

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

Nível de qualidade

Ensaio

≥98% (HPLC)

Formulário

powder

condição de armazenamento

desiccated

cor

white to light brown

solubilidade

DMSO: 15 mg/mL, clear

temperatura de armazenamento

2-8°C

cadeia de caracteres 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)

chave InChI

VAVXGGRQQJZYBL-UHFFFAOYSA-N

Aplicação

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

Ações bioquímicas/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 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 classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°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)
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)
Weijian Ye et al.
PLoS pathogens, 14(10), e1007298-e1007298 (2018-10-05)
Natural killer (NK) cells provide the first line of defense against malaria parasite infection. However, the molecular mechanisms through which NK cells are activated by parasites are largely unknown, so is the molecular basis underlying the variation in NK cell
Josephine Hai et al.
Clinical cancer research : an official journal of the American Association for Cancer Research, 26(13), 3431-3442 (2020-03-27)
Lung squamous cell carcinoma (LSCC) is a deadly disease for which only a subset of patients responds to immune checkpoint blockade (ICB) therapy. Therefore, preclinical mouse models that recapitulate the complex genetic profile found in patients are urgently needed. We

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