716243
1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester
97%
Synonym(s):
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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About This Item
Empirical Formula (Hill Notation):
C12H21BN2O2
CAS Number:
Molecular Weight:
236.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
InChI
1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
SMILES string
CC(C)n1cc(cn1)B2OC(C)(C)C(C)(C)O2
InChI key
OGYYMVGDKVJYSU-UHFFFAOYSA-N
assay
97%
form
solid
mp
36-44 °C
storage temp.
2-8°C
Quality Level
Related Categories
Application
1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester can be used as a reactant to synthesize:
- Imidazo[1,2-a]pyrazine based phosphodiesterase 10A inhibitors.
- Pyrido[3,4-d]pyrimidin-4-(3H)-one based KDM4 and KDM5 (histone lysine demethylase families) inhibitors.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
No data available
flash_point_c
No data available
Regulatory Information
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Cell penetrant inhibitors of the KDM4 and KDM5 families of histone lysine demethylases. 2. Pyrido [3, 4-d] pyrimidin-4 (3 H)-one derivatives
Westaway SM, et al.
Journal of Medicinal Chemistry, 59(4), 1370-1387 (2016)
Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia
Bartolome?-Nebreda JM, et al.
Journal of Medicinal Chemistry, 57(10), 4196-4212 (2014)
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