4-Aminocarbonylphenylboronic acid pinacol ester
Product Information
Molecular Formula
C13H18BNO3
Molecular Weight
247.1
Description
4-Aminocarbonylphenylboronic acid pinacol ester, an indispensable compound heavily utilized in the biomedical field, plays a pivotal role in the creation of groundbreaking pharmaceuticals for a wide range of ailments, most notably cancer.
Synonyms
4-Aminocarbonylphenylboronic acid pinacol ester; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide
IUPAC Name
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
InChI
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChI Key
NWEMAGLLVQDEKL-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Density
1.11g/cm3
Safety Information
Hazards
H302
Precautionary Statement
P301 + P312 + P330
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
247.1379736 g/mol
Monoisotopic Mass
247.1379736 g/mol
Topological Polar Surface Area
61.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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 |
|---|---|---|
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| WO-2021155004-A1 | Strad-binding agents and uses thereof | 2020-01-30 |
| TW-202102253-A | Glucose sensitive insulin derivatives | 2019-03-29 |
| TW-I717245-B | Glucose sensitive insulin derivatives | 2019-03-29 |
| TW-202112397-A | Glucose sensitive insulin derivatives | 2019-03-29 |
| US-2021221817-A1 | Novel heteroaromatic compounds as potent modulators of the hippo-yap signaling pathway lats1/2 kinases | 2018-08-31 |
| US-2019298729-A1 | Imidazopiperazine inhibitors of transcription activating proteins | 2018-03-29 |
| BR-112020019824-A2 | STRUCTURAL FORMULA I COMPOUND OR A SALT OF THE SAME, PHARMACEUTICAL COMPOSITION, CBP INHIBITION METHOD, P300 INHIBITION METHOD, METHOD OF TREATING A DISEASE MEASURED BY A CBE, METHOD OF TREATING A MEDIATED ILLNESS EFFECT ON A PATIENT | 2018-03-29 |
| CN-112165944-A | Imidazopiperazine inhibitors of transcriptional activator proteins | 2018-03-29 |
| KR-20210003764-A | Imidazopiperazine inhibitors of transcription-activated proteins | 2018-03-29 |
