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Merck
CN

SML2144

Sigma-Aldrich

TB5

≥98% (HPLC)

别名:

(2E)-1-(5-bromothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

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About This Item

经验公式(希尔记法):
C15H14BrNOS
分子量:
336.25
MDL编号:
UNSPSC代码:
12352200
NACRES:
NA.77

质量水平

方案

≥98% (HPLC)

表单

powder

颜色

yellow to orange

溶解性

DMSO: 2 mg/mL, clear

储存温度

2-8°C

SMILES字符串

CN(C)C(C=C1)=CC=C1/C=C/C(C2=CC=C(Br)S2)=O

InChI

1S/C15H14BrNOS/c1-17(2)12-6-3-11(4-7-12)5-8-13(18)14-9-10-15(16)19-14/h3-10H,1-2H3/b8-5+

InChI key

PTLDLBSWTKNYCY-VMPITWQZSA-N

生化/生理作用

TB5 is a potent and selective reversible inhibitor of monoamine oxidase B (MAOB) with a Ki value of 110 nM. A reversible inhibitor should have an advantage over irreversible inhibitors such as selegiline in limiting side effects. Parallel artificial membrane permeation (PAMPA) assays indicated TB5 should be able to cross the blood–brain barrier. TB5 was found nontoxic to cells.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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分析证书(COA)

Lot/Batch Number

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访问文档库

Bijo Mathew et al.
ChemMedChem, 11(11), 1161-1171 (2016-05-10)
A series of (2E)-1-(5-bromothiophen-2-yl)-3-(para-substituted phenyl)prop-2-en-1-ones (TB1-TB11) was synthesized and tested for inhibitory activity toward human monoamine oxidase (hMAO). All compounds were found to be competitive, selective, and reversible toward hMAO-B except (2E)-1-(5-bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one (TB7) and (2E)-1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one (TB8), which were selective inhibitors
Bijo Mathew et al.
The journal of physical chemistry. B, 121(6), 1186-1203 (2017-01-14)
Selective monoamine oxidase-B (MAO-B) inhibitors are imperative in the treatment of various neurodegenerative disorders. Herein, we describe the pharmacophore generation and atom-based three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of previously reported thiophene-based hMAO-B inhibitors by our research group. The aim

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