5-bromobenzo[b]thiophene-2-boronic acid
Product Information
Molecular Formula
C8H6BBrO2S
Molecular Weight
256.91
Description
5-bromobenzo[b]thiophene-2-boronic acid is a valuable compound utilized in the biomedical industry for its potential in drug discovery and development. With its boronic acid functionality, it can serve as a key building block for the synthesis of novel pharmaceutical agents targeting various diseases. Through its unique chemical structure, the compound has shown promising drug development effects in a variety of diseases, including cancer, inflammation, and infectious diseases.
Synonyms
(5-Bromobenzo[b]thiophen-2-yl)boronic acid; (5-bromo-1-benzothiophen-2-yl)boronic acid; (5-Bromobenzo[b]thiophen-2-yl)boronicacid; 5-bromobenzeno[B]thiophene-2-boronic acid; (5-Bromobenzo[b]thiophene-2-yl)boronic acid; (5-bromanyl-1-benzothiophen-2-yl)boronic acid; A842574; pinacol 5-bromomethylbenzo[b]thiophen-2-ylboronate; 5-bromobenzo[b]thiophene-2-boronic acid
IUPAC Name
(5-bromo-1-benzothiophen-2-yl)boronic acid
SMILES
B(C1=CC2=C(S1)C=CC(=C2)Br)(O)O
InChI
InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChI Key
RUQKSUMPFAJLNQ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
255.93649 g/mol
Monoisotopic Mass
255.93649 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
193
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-2022015624-A1 | Substituted dihydropyrazinediones as modulators of the nmda receptor | 2020-07-16 |
| WO-2021008512-A1 | Compound as nmt inhibitor and use thereof | 2019-07-18 |
| CN-114174283-A | Compounds as NMT inhibitors and uses thereof | 2019-07-18 |
| CN-108929234-B | Aromatic amine derivative and organic electroluminescent device thereof | 2018-07-05 |
| AU-2015269053-A1 | Polynucleotide constructs having bioreversible and non-bioreversible groups | 2014-06-06 |
| CA-2950960-A1 | Polynucleotide constructs having bioreversible and non-bioreversible groups | 2014-06-06 |
| EP-3152308-A2 | Polynucleotide constructs having bioreversible and non-bioreversible groups | 2014-06-06 |
| JP-2017522046-A | Polynucleotide constructs having bioreversible and bioreversible groups | 2014-06-06 |
| US-2017114341-A1 | Polynucleotide constructs having bioreversible and non-bioreversible groups | 2014-06-06 |
| WO-2015188197-A2 | Polynucleotide constructs having bioreversible and non-bioreversible groups | 2014-06-06 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 17956081 | 2007-11-15 | Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy | Journal of medicinal chemistry |
