(3-methanesulfonylaminomethylphenyl)boronic acid

Inquiry

Molecular Formula:

C8H12BNO4S

Molecular Weight:

229.06

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

229.0580092 g/mol

Monoisotopic Mass

229.0580092 g/mol

Topological Polar Surface Area

95Å²

Heavy Atom Count

Formal Charge

Complexity

288

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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