isoquinoline-6-boronic acid

Product Information

Molecular Formula:
C9H8BNO2
Molecular Weight:
172.98
Description
Isoquinoline-6-boronic acid is an eminent and remarkably versatile compound extensively employed in the biomedical realm. It unveils its profound prowess as a potent anti-inflammatory agent. Owing to its distinctive and intricate chemical architecture, medicinal chemists cherish its indispensability in the synthesis of novel therapeutic entities.
Synonyms
6-Isoquinolinyl-boronic acid; (isoquinolin-6-yl)boronic acid; Boronic acid, 6-isoquinolinyl-; ISOQUINOLIN-6-YL-6-BORONIC ACID; ISOQUINOLIN-6-BORONIC ACID; 6-Isoquinolinylboronic acid; isoquinoline-6-boronic acid
IUPAC Name
isoquinolin-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=NC=C2)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H
InChI Key
OBUOMTRFSCUDKS-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
173.0648087 g/mol
Monoisotopic Mass
173.0648087 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
177
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-112409241-A Organic compound, application thereof and organic electroluminescent device adopting organic compound 2020-11-27
WO-2020257487-A1 Glycolate oxidase inhibitors for the treatment of disease 2019-06-19
TW-202115013-A Glycolate oxidase inhibitors for the treatment of disease 2019-06-19
CN-111978317-A Imidazopyridine MNK1/MNK2 kinase inhibitor and preparation method and application thereof 2019-05-22
US-2019375753-A1 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses 2018-06-05
WO-2019236631-A1 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses 2018-06-05
EP-3802544-A1 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses 2018-06-05
JP-2021527051-A Pyrazolo-pyrimidine-amino-cycloalkyl compounds and their therapeutic use 2018-06-05
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses 2018-06-05
WO-2019133770-A2 Glycolate oxidase inhibitors for the treatment of disease 2017-12-29
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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