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716243

1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester

Name: 1-Isopropyl-1<I>H</I>-pyrazole-4-boronic acid pinacol ester
Brand: ALDRICH

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:

879487-10-2

Molecular Weight:

236.12

NACRES:

NA.22

PubChem Substance ID:

329763373

UNSPSC Code:

12352103

MDL number:

MFCD11867881

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Properties

Quality Level

100

assay

97%

form

solid

mp

36-44 °C

storage temp.

2-8°C

SMILES string

CC(C)n1cc(cn1)B2OC(C)(C)C(C)(C)O2

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

InChI key

OGYYMVGDKVJYSU-UHFFFAOYSA-N

Description

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.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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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Certificates of Analysis (COA)

Lot/Batch Number

MKBQ8719V

MKBC4653

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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)

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)

Global Trade Item Number

SKU	GTIN
716243-250MG	04061832881683
716243-1G	04061826068144