5-benzothiazole boronic acid pinacol ester

Product Information

Molecular Formula:
C13H16BNO2S
Molecular Weight:
261.15
Description
5-benzothiazole boronic acid pinacol ester is a remarkable compound employed in biomedical investigation and assumes a pivotal role as an intermediary for synthesizing diverse pharmaceuticals and inhibitors. By virtue of its boronic acid moiety, it exhibits the ability to engender cogent covalent linkages with specific enzymes or proteins, thereby emerging as an indispensable instrument for investigating ailments such as cancer, diabetes, and inflammation.
Synonyms
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole; BENZOTHIAZOLE-5-BORONIC ACID PINACOL ESTER; 5-BENZOTHIAZOLE BORONIC ACID PINACOL ESTER; 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-BENZOTHIAZOLE; benzothiazole-5-ylboronic acid pinacol ester; 5-benzothiazole boronic acid pinacol ester; BENZO[D]THIAZOL-5-YLBORONIC ACID PINACOL ESTER; Z1438223076; 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC=N3
InChI
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-5-6-11-10(7-9)15-8-18-11/h5-8H,1-4H3
InChI Key
MGOKEBHEDJCRQN-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
261.0994801 g/mol
Monoisotopic Mass
261.0994801 g/mol
Topological Polar Surface Area
59.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
321
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-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
WO-2021094208-A1 Substituted imidazo pyrimidine ep3 antagonists 2019-11-12
KR-20200073503-A Triazolopyridine-3-one derivatives or its salt and pharmaceutical compositions comprising the same 2018-12-14
KR-20200123846-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same 2018-03-21
US-10351552-B2 Bicyclic antiparasitic compounds 2017-12-07
US-2019177304-A1 Bicyclic Antiparasitic Compounds 2017-12-07
WO-2019101039-A1 Pyrimidine sulfamide derivative and preparation method and medical application thereof 2017-11-21
US-2020283425-A1 Pyrimidine sulfamide derivative and preparation method and medical application thereof 2017-11-21
AU-2018286221-A1 Aminopyrimidine compound, preparation method therefor and use thereof 2017-06-13
EP-3640248-A1 Aminopyrimidine compound, preparation method therefor and use thereof 2017-06-13
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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