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
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 |
