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Merck
CN

721034

Sigma-Aldrich

5-氯-3-吡啶硼酸

≥95%

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别名:
3-氯吡啶-5-硼酸, 5-氯吡啶-3-硼酸
经验公式(希尔记法):
C5H5BClNO2
分子量:
157.36
MDL编号:
UNSPSC代码:
12352103
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

≥95%

形式

solid

mp

255-260 °C

储存温度

2-8°C

SMILES字符串

OB(O)c1cncc(Cl)c1

InChI

1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H

InChI key

NJXYBTMCTZAUEE-UHFFFAOYSA-N

应用

5-Chloro-3-pyridineboronic acid can be used as an intermediate:
  • In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging.
  • In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064.
  • In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors.
  • In the synthesis of ATAD2 bromodomain inhibitors.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable


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Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis
Koppitz M, et al.
Bioorganic & Medicinal Chemistry Letters, 29(18), 2700-2705 (2019)
Synthesis of [11C] MK-1064 as a new PET radioligand for imaging of orexin-2 receptor
Gao M, et al.
Bioorganic & Medicinal Chemistry Letters, 26(15), 3694-3699 (2016)
Discovery of 5″-Chloro-N-[(5,6-dimethoxypyridin-2-yl) methyl]-2, 2′: 5′, 3″-terpyridine-3′-carboxamide (MK-1064): A Selective Orexin 2 Receptor Antagonist (2-SORA) for the Treatment of Insomnia
Roecker AJ, et al.
ChemMedChem, 9(2), 311-322 (2014)
Fragment-based discovery of low-micromolar ATAD2 bromodomain inhibitors
Demont EH, et al.
Journal of Medicinal Chemistry, 58(14), 5649-5673 (2015)

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