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3-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER

3-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER

Inquiry

Molecular Formula:

C13H20BNO4S

Molecular Weight:

297.18

CAS Number:

305448-92-4

Catalog Number:

305448-92-4

Product Information

Molecular Formula:

C13H20BNO4S

Molecular Weight:

297.18

Description

3-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER is an academically acclaimed biomedical compound in the realm of cancer therapeutics. It functions as an extraordinary inhibitor, focusing its attention on intricate cellular pathways implicated in the expanse and propagation of malignant neoplasms. Its extraordinary pharmacological profile manifests remarkable efficacy against malignancies that exhibit resistance towards conventional chemotherapeutic modalities, thus cementing its position as an auspicious treatment option in the realm of cancer management.

Synonyms

3-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER; N-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYLMETHANESULFONAMIDE; 3-Methylsulfonylaminophenylboronic acid,pinacol ester

IUPAC Name

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-8-11(9-10)15-20(5,16)17/h6-9,15H,1-5H3

InChI Key

LBTPCAAJDFFVTA-UHFFFAOYSA-N

Boiling Point

421.7°C at 760mmHg

Melting Point

153-157°C(lit.)

Flash Point

Not applicable

Purity

98%

Density

1.19g/cm3

Appearance

White to brown powder or crystals

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

297.1206095 g/mol

Monoisotopic Mass

297.1206095 g/mol

Topological Polar Surface Area

73Å²

Heavy Atom Count

Formal Charge

Complexity

442

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
WO-2020245430-A1	Benzo[h][1,6] naphthyridin-2(1h)-ones as bmx inhibitors, for use against cancer	2019-06-07
AU-2020288706-A1	Benzo[h][1,6] naphthyridin-2(1H)-ones as BMX inhibitors, for use against cancer	2019-06-07
CN-114206867-A	Benzo [ H ] [1,6] naphthyridin-2 (1H) -ones as BMX inhibitors for combating cancer	2019-06-07
CN-113692276-A	NURR1 receptor modulators	2019-02-19
IL-264392-D0	Preparations for the treatment of pneumonia	2016-07-28
JP-2019523265-A	Composition for the treatment of pulmonary fibrosis	2016-07-28
US-2019270712-A1	Compositions for the treatment of pulmonary fibrosis	2016-07-28
US-10919863-B2	Compositions for the treatment of pulmonary fibrosis	2016-07-28
RU-2747801-C2	Compositions for pulmonary fibrosis treatment	2016-07-28
JP-6983222-B2	Composition for the treatment of pulmonary fibrosis	2016-07-28

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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