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
Canonical 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
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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