(3-methanesulfonylaminomethylphenyl)boronic acid
Product Information
Molecular Formula
C8H12BNO4S
Molecular Weight
229.06
Description
(3-methanesulfonylaminomethylphenyl)boronic acid is a derivative of boronic acid that can facilitate the development of drug synthesis projects. As a key intermediate in the preparation of proteasome inhibitors, its research and application in a series of tumor diseases has been widely explored, especially multiple myeloma and mantle cell lymphoma.
Synonyms
3-[(Methylsulphonylamino)methyl]benzeneboronic acid; (3-METHANESULFONYLAMINOMETHYLPHENYL)BORONIC ACID; (3-Methanesulfonylaminomethyl)phenylboronic acid; [3-(methanesulfonamidomethyl)phenyl]boronic acid; 3-(methylsulfonamidomethyl)phenylboronic acid; thenyldiaminehydrochloride; [3-(methylsulfonylaminomethyl)phenyl]boronic acid; 3-((methylsulfonylamino)methyl)phenylboronic acid; (3-methanesulfonylaminomethylphenyl)boronic acid
IUPAC Name
[3-(methanesulfonamidomethyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)CNS(=O)(=O)C)(O)O
InChI
InChI=1S/C8H12BNO4S/c1-15(13,14)10-6-7-3-2-4-8(5-7)9(11)12/h2-5,10-12H,6H2,1H3
InChI Key
FJSWJJOLFPIDER-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
229.0580092 g/mol
Monoisotopic Mass
229.0580092 g/mol
Topological Polar Surface Area
95Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
288
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 |
|---|---|---|
| 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 |
| BR-112020015328-A2 | GCN2 INHIBITORS AND USES OF THE SAME | 2018-01-29 |
| US-10988477-B2 | GCN2 inhibitors and uses thereof | 2018-01-29 |
| 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 |
