2-Methylthiopyridine-5-boronic acid
Product Information
Molecular Formula
C6H8BNO2S
Molecular Weight
169.01
Description
2-Methylthiopyridine-5-boronic acid is an important chemical entity in the biomedical field and contributes to the development of therapeutic drugs for a variety of diseases, including cancer, diabetes, and microbial infections.
Synonyms
6-(Methylthio)pyridin-3-ylboronic acid; (6-methylsulfanylpyridin-3-yl)boronic Acid; 6-(METHYLTHIO)PYRIDINE-3-BORONIC ACID; 2-(Methylthio)-5-pyridinyl-boronic acid; (6-(methylthio)pyridin-3-yl)boronic acid; [6-(Methylsulfanyl)pyridin-3-yl]boronic acid; 6-(Methylsulphanyl)pyridine-3-boronic acid; 6-methylthiopyridin-3-ylboronic acid; 6-(Methylthio)pyridin-3-ylboronicacid; 6-methylsulfanyl-pyridine-3-boronic acid; 2-Methylthiopyridine-5-boronic acid; 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(hexyl)oxyphenol
IUPAC Name
(6-methylsulfanylpyridin-3-yl)boronic acid
SMILES
B(C1=CN=C(C=C1)SC)(O)O
InChI
InChI=1S/C6H8BNO2S/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
InChI Key
UXWKVPJOPVIIRU-UHFFFAOYAO
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
169.0368798 g/mol
Monoisotopic Mass
169.0368798 g/mol
Topological Polar Surface Area
78.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
125
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 |
|---|---|---|
| WO-2021050700-A1 | Cyclooxygenase-2 inhibitors and uses thereof | 2019-09-13 |
| WO-2019054386-A1 | HETEROCYCLIC COMPOUND OR SALT THEREOF, GPR35 AGONIST AND PHARMACEUTICAL COMPOSITION | 2017-09-12 |
| JP-WO2019054386-A1 | Heterocyclic compounds or salts thereof, GPR35 agonists and pharmaceutical compositions | 2017-09-12 |
| US-10266532-B2 | Tricyclic modulators of TNF signaling | 2015-04-17 |
| US-2016304517-A1 | Tricyclic modulators of tnf signaling | 2015-04-17 |
| US-2018179198-A1 | Tricyclic modulators of tnf signaling | 2015-04-17 |
| US-9856253-B2 | Tricyclic modulators of TNF signaling | 2015-04-17 |
| AU-2015373089-A1 | URAT1 inhibitor | 2014-12-29 |
| AU-2015373089-B2 | URAT1 inhibitor | 2014-12-29 |
| CA-2971125-A1 | Urat1 inhibitor | 2014-12-29 |
