721034
5-氯-3-吡啶硼酸
≥95%
别名:
3-氯吡啶-5-硼酸, 5-氯吡啶-3-硼酸
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关于此项目
经验公式（希尔记法）:
C5H5BClNO2
化学文摘社编号:
分子量:
157.36
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
产品名称
5-氯-3-吡啶硼酸, ≥95%
InChI
1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
SMILES string
OB(O)c1cncc(Cl)c1
InChI key
NJXYBTMCTZAUEE-UHFFFAOYSA-N
assay
≥95%
form
solid
mp
255-260 °C
functional group
chloro
storage temp.
2-8°C
Quality Level
Application
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Fragment-based discovery of low-micromolar ATAD2 bromodomain inhibitors
Demont EH, et al.
Journal of Medicinal Chemistry, 58(14), 5649-5673 (2015)
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)
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)
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)
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