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
Canonical 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
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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