5-(Dihydroxyboryl)-2-thiophenecarboxylic acid
Product Information
Molecular Formula
C5H5BO4S
Molecular Weight
171.97
Description
5-(Dihydroxyboryl)-2-thiophenecarboxylic acid is an intriguing biomedical compound that emerges as a therapeutic triumph in combating select ailments. This acid's structural idiosyncrasies beckon exploration for the creation of pharmaceutical wonders, tailored exclusively to the intricate machinations of specific enzymes and receptors implicated in diverse maladies, notably cancer and inflammatory afflictions.
Synonyms
2-Carboxythiophene-5-boronic acid; 5-boronothiophene-2-carboxylic acid; 5-Carboxythiophene-2-boronic acid; 5-(Dihydroxyboryl)-2-thiophenecarboxylic acid; 5-(dihydroxyboryl)thiophene-2-carboxylic acid; 5-(dihydroxyboranyl)thiophene-2-carboxylic acid; 2-THIOPHENECARBOXYLIC ACID, 5-BORONO-; 5-borono-2-thiophenecarboxylic acid; 2-Carboxythiophene-5-boronicacid; 5-Carboxythiophene-2-boronicacid; 2-Carboxy-5-thiopheneboronic acid; 5-(dihydroxyboryl)-2-thiophene-carboxylic acid; 5-(dihydroxylboryl)-2-thiophene carboxylic acid; 5-(Dihydroxyboryl)-2-thiophenecarboxylic acid
IUPAC Name
5-boronothiophene-2-carboxylic acid
SMILES
B(C1=CC=C(S1)C(=O)O)(O)O
InChI
InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
InChI Key
OQGIKNPOYTVNNF-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
172.0001600 g/mol
Monoisotopic Mass
172.0001600 g/mol
Topological Polar Surface Area
106Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
163
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 |
|---|---|---|
| JP-2021132542-A | Polymer cross-linked product, gel-like composition, cell culture material, method for producing cell group, and method for separating cell group | 2020-02-25 |
| CN-111892592-A | JAK kinase inhibitors and uses thereof | 2019-08-06 |
| US-2020323872-A1 | Heterocyclic compounds as rsv inhibitors | 2019-04-09 |
| WO-2020210246-A1 | Heterocyclic compounds as rsv inhibitors | 2019-04-09 |
| US-11179400-B2 | Heterocyclic compounds as RSV inhibitors | 2019-04-09 |
| EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| WO-2020077071-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| US-10875848-B2 | Inhibiting fatty acid synthase (FASN) | 2018-10-10 |
| US-2021024508-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19731939 | 2009-10-08 | Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors | Journal of medicinal chemistry |
| 3821 | 1975-09-01 | [Automatic method for determination of serum antistreptolysin] | Quaderni Sclavo di diagnostica clinica e di laboratorio |
