4-(N,N-diethylaminocarbonyl)phenylboronic acid, pinacol ester
Product Information
Molecular Formula
C17H26BNO3
Molecular Weight
303.20
Description
4-(N,N-diethylaminocarbonyl)phenylboronic acid, pinacol ester is a pinacol ester derivative of 4-(N,N-diethylaminocarbonyl)phenylboronic acid. It is commonly employed in the biomedical industry for its ability to selectively react with certain drugs or biomarkers containing boronic acid-responsive motifs. This product finds applications in the development of targeted drug delivery systems and the treatment of diseases such as cancer, diabetes, and inflammatory disorders.
Synonyms
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 4-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester; [4-(Diethylamine-1-carbonyl)phenyl]-boronic acid pinacol ester; 4-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester; N,N-Diethyl-p-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide
IUPAC Name
N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N(CC)CC
InChI
InChI=1S/C17H26BNO3/c1-7-19(8-2)15(20)13-9-11-14(12-10-13)18-21-16(3,4)17(5,6)22-18/h9-12H,7-8H2,1-6H3
InChI Key
GGSTYOBAIUYURJ-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
303.2005739 g/mol
Monoisotopic Mass
303.2005739 g/mol
Topological Polar Surface Area
38.8Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
383
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-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 2018-06-13 |
| TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 2018-06-13 |
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 2018-06-13 |
| US-2020055875-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 2017-05-01 |
| US-11066420-B2 | Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof | 2017-05-01 |
| AU-2012382373-A1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| AU-2013274465-A1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| EP-2858990-B1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| MX-2014015156-A | DERIVATIVES OF PIRIDINONA AND PIRIDAZINONA. | 2012-06-12 |
| RU-2632915-C2 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
