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
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 |
