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Merck
CN

SML2328

BD064

≥98% (HPLC)

别名:

B-[5-[[[1-[3-(4-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl][2-[4-fluoro-3-(trifluoromethyl)phenyl]acetyl]amino]methyl]-2-fluorophenyl]boronic acid

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关于此项目

经验公式(希尔记法):
C33H28BF5N4O5
化学文摘社编号:
分子量:
666.40
UNSPSC Code:
12352200
NACRES:
NA.77
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SMILES string

O=C1N(C2=CC=C(OCC)C=C2)C(C(N(C(CC3=CC=C(F)C(C(F)(F)F)=C3)=O)CC4=CC(B(O)O)=C(F)C=C4)C)=NC5=NC=CC=C51

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Biochem/physiol Actions

BD064 is a probe-dependent and biased negative allosteric modulator (NAM) of the chemokine receptor CXCR3 signaling that preferentially inhibits CXCL11-mediated ?-arrestin 2 recruitment over G protein activation.
biased negative allosteric modulator of the chemokine receptor CXCR3 signaling that preferentially inhibits CXCL11-mediated β-arrestin 2 recruitment

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Viachaslau Bernat et al.
ChemMedChem, 10(3), 566-574 (2015-02-07)
Over the last decade, functional selectivity (or ligand bias) has evolved from being a peculiar phenomenon to being recognized as an essential feature of synthetic ligands that target G protein-coupled receptors (GPCRs). The CXC chemokine receptor 3 (CXCR3) is an outstanding platform
Regine Brox et al.
Molecular pharmacology, 93(4), 309-322 (2018-01-19)
Our recent explorations of allosteric modulators with improved properties resulted in the identification of two biased negative allosteric modulators, BD103 (N-1-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimi-din2yl]ethyl}-4-(4-fluorobutoxy)-N-[(1-methylpiperidin-4-yl)methyl}]butanamide) and BD064 (5-[(N-{1-[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamido)methyl]-2-fluorophenyl}boronic acid), that exhibited probe-dependent inhibition of CXC-motif chemokine receptor CXCR3 signaling. With the intention to elucidate
Viachaslau Bernat et al.
ACS chemical biology, 9(11), 2664-2677 (2014-09-19)
The chemokine receptor CXCR3 is a G protein-coupled receptor, which conveys extracellular signals into cells by changing its conformation upon agonist binding. To facilitate the mechanistic understanding of allosteric modulation of CXCR3, we combined computational modeling with the synthesis of

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