N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Product Information
Molecular Formula
C15H22BNO3
Molecular Weight
275.15
Description
N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is a biomedical compound that is widely used in drug research in cancer, inflammation disease and drug delivery.
Synonyms
3-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester; 3-(Dimethylcarbamoyl)benzeneboronic acid pinacol ester; N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-(dimethylcarbamoyl)benzeneboronic acid, pinacol ester; 3-(n,n-dimethylaminocarbonyl)phenyl boronic acid, pinacol ester; 3-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester; n,n-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide; N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC Name
N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N(C)C
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(18)17(5)6/h7-10H,1-6H3
InChI Key
CHLGBYJEMLCJJJ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H317
Precautionary Statement
P280
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
275.1692737 g/mol
Monoisotopic Mass
275.1692737 g/mol
Topological Polar Surface Area
38.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
365
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 |
|---|---|---|
| EP-3426260-A1 | C-glycoside compounds useful for treating disease | 2016-03-11 |
| US-2020002303-A1 | C-glycoside compounds useful for treating disease | 2016-03-11 |
| WO-2017156508-A1 | C-glycoside compounds useful for treating disease | 2016-03-11 |
| EP-3359532-A1 | Biaryl pyrazoles as nrf2 regulators | 2015-10-06 |
| JP-2018529745-A | Biarylpyrazoles as NRF2 regulators | 2015-10-06 |
| US-10364256-B2 | Biaryl pyrazoles as NRF2 regulators | 2015-10-06 |
| US-2018282349-A1 | Biaryl pyrazoles as nrf2 regulators | 2015-10-06 |
| WO-2017060854-A1 | Biaryl pyrazoles as nrf2 regulators | 2015-10-06 |
| US-10266532-B2 | Tricyclic modulators of TNF signaling | 2015-04-17 |
| US-2016304517-A1 | Tricyclic modulators of tnf signaling | 2015-04-17 |
