3-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER
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
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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
297.1206095 g/mol
Monoisotopic Mass
297.1206095 g/mol
Topological Polar Surface Area
73Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
442
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-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 |
