N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Product Information
Molecular Formula
C17H27BN2O3
Molecular Weight
318.22
Description
N-(2-Dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is an extensively studied and widely employed biomedical compound that plays a fundamental role in the multifaceted landscape of disease therapy and investigation. Boasting an array of potential therapeutic attributes, its profound application in the realm of drug design, dedicated to addressing intricate maladies, is unequivocally evident.
Synonyms
N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; n-[2-(n',n'-dimethylamino)ethyl]benzamide-3-boronic acid, pinacol ester; 3-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, PINACOL ESTER; 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid pinacol ester; N-(2-dimethylamino-ethyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide; n-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl)-1,3,2-dioxaborolan-2-yl benzamide
IUPAC Name
N-[2-(dimethylamino)ethyl]-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)NCCN(C)C
InChI
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)
InChI Key
KQUHTIHQDGBEMM-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
318.2114729 g/mol
Monoisotopic Mass
318.2114729 g/mol
Topological Polar Surface Area
50.8Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
410
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 |
|---|---|---|
| AU-2018347783-A1 | MAP4K4 inhibitors | 2017-10-13 |
| WO-2019073253-A1 | INHIBITORS OF MAP4K4 | 2017-10-13 |
| EP-3694866-A1 | Map4k4 inhibitors | 2017-10-13 |
| JP-2020536937-A | MAP4K4 inhibitor | 2017-10-13 |
| US-2020339583-A1 | Map4k4 inhibitors | 2017-10-13 |
| CN-112585147-A | MAP4K4 inhibitors | 2017-10-13 |
| US-2019119210-A1 | Aromatic sulfonamide derivatives | 2016-05-03 |
| EP-3458443-B1 | Aromatic sulfonamide derivatives | 2016-05-03 |
| US-10844016-B2 | Aromatic sulfonamide derivatives | 2016-05-03 |
| EP-3763704-A1 | Aromatic sulfonamide derivatives | 2016-05-03 |
