3-methylsulfinylphenylboronic acid
Product Information
Molecular Formula
C7H9BO3S
Molecular Weight
184.02
Description
3-Methylsulfinylphenylboronic acid adeptly targets distinct enzymes or receptors associated with conditions such as cancer and inflammation.
Synonyms
(3-methylsulfinylphenyl)boronic acid; (3-(Methylsulfinyl)phenyl)boronic acid; 3-methylsulfinylphenylboronicacid; (3-methanesulfinylphenyl)boronic acid; [3-(Methanesulfinyl)phenyl]boronic acid; 3-methylsulfinylphenylboronic acid
IUPAC Name
(3-methylsulfinylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)S(=O)C)(O)O
InChI
InChI=1S/C7H9BO3S/c1-12(11)7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
XYLPYIANRLXCDW-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
184.0365455 g/mol
Monoisotopic Mass
184.0365455 g/mol
Topological Polar Surface Area
76.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
174
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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 |
|---|---|---|
| TW-201941775-A | GCN2 inhibitor and its use | 2018-01-29 |
| US-2019233425-A1 | Gcn2 inhibitors and uses thereof | 2018-01-29 |
| WO-2019148132-A1 | Gcn2 inhibitors and uses thereof | 2018-01-29 |
| AU-2019211485-A1 | GCN2 inhibitors and uses thereof | 2018-01-29 |
| CN-111918651-A | GCN2 inhibitors and uses thereof | 2018-01-29 |
| EP-3746075-A1 | Gcn2 inhibitors and uses thereof | 2018-01-29 |
| US-10988477-B2 | GCN2 inhibitors and uses thereof | 2018-01-29 |
| JP-2021512079-A | GCN2 inhibitor and its use | 2018-01-29 |
| CA-2986651-A1 | Benzoxazinone derivatives and analogues thereof as modulators of tnf activity | 2015-06-08 |
| EA-034977-B1 | DERIVATIVES OF BENZOXASININ AND ITS ANALOGUES AS TNF ACTIVITY MODULATORS | 2015-06-08 |
