3-Quinolineboronic acid
Product Information
Molecular Formula
C9H8BNO2
Molecular Weight
172.98
Description
3-Quinolineboronic acid is a member of a group of boronic acid derivatives that change fluorescence properties once they are bound to sugar molecules. 3-Quinolineboronic acid is also a potential inhibitor of the Staphylococcus aureus NorA efflux pump.
Synonyms
Quinoline-3-boronic Acid; 3-Quinolineboronic acid; Quinolin-3-Yl-Boranediol
IUPAC Name
quinolin-3-ylboronic acid
SMILES
B(C1=CC2=CC=CC=C2N=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H
InChI Key
YGDICLRMNDWZAK-UHFFFAOYSA-N
Boiling Point
400.3±37.0 °C (Predicted)
Melting Point
148-155 °C
Flash Point
Not applicable
Purity
97 %
Density
1.280±0.10 g/cm3 (Predicted)
Solubility
Slightly soluble in DMSO, Methanol
Appearance
Light brown powder
Storage
2-8 °C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
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-113957441-A | Etching solution and preparation method and application thereof | 2021-10-29 |
| CN-113248474-A | Five-membered azole heterocyclic derivative and preparation method and application thereof | 2021-05-24 |
| CN-112778305-A | Pyridopyrimidone compounds and preparation method and application thereof | 2021-02-08 |
| CN-112778305-B | Pyridopyrimidinone compound and preparation method and application thereof | 2021-02-08 |
| CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 2020-07-15 |
| CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 2020-07-15 |
| WO-2022007841-A1 | Egfr inhibitor, preparation method therefor, and pharmaceutical application thereof | 2020-07-09 |
| WO-2021249913-A1 | 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer | 2020-06-09 |
| WO-2021249913-A9 | 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer | 2020-06-09 |
| KR-20210139054-A | Organic compounds and organic electroluminescent device including the same | 2020-05-13 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22162450 | 2011-11-01 | Chemical and photophysical mechanism of fluorescence enhancement of 3-quinolineboronic acid upon change of pH and binding with carbohydrates | Luminescence : the journal of biological and chemical luminescence |
