3-N-(BOC)aminomethylphenylboronic acid
Product Information
Molecular Formula
C12H18BNO4
Molecular Weight
251.1
Description
3-N-(BOC)aminomethylphenylboronic acid can effectively produce adhesion to different target molecules, thereby coordinating cellular mechanisms and curbing the development of diseases, and has been used in cancer and diabetes drug development.
Synonyms
(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid; 3-((N-Boc-amino)methyl)phenylboronic acid; 3-((tert-butoxycarbonylamino)methyl)phenylboronic acid; [3-(N-Boc-Aminomethyl)phenyl]boronic acid; [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid; 3-N-(BOC)aminomethylphenylboronic acid; [3-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]boronic acid; 3-[(tert-butoxycarbonylamino)methyl]phenylboronic acid; (3-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)boronic acid; 3-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID; 3-(tert-Butoxycarbonyl)aminomethyl-phenylboronic acid; 3-(N-Boc-aminomethyl)phenylboronic acid; [3-(tert-Butoxycarbonylaminomethyl)phenyl]boronic acid; 3-(N-tert-butoxycarbonylaminomethyl)phenylboronic acid; 3-(n-tert-butoxycarbonyl)amino methyl phenyl boronic acid; (3-(((tert-Butoxycarbonyl)amino)methyl) phenyl)boronic acid
IUPAC Name
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key
YHAQUGOSDQZIMA-UHFFFAOYAI
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H317
Precautionary Statement
P280
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
251.1328882 g/mol
Monoisotopic Mass
251.1328882 g/mol
Topological Polar Surface Area
78.8Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
278
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-2021219594-A1 | Spirourea derivatives | 2020-04-29 |
| WO-2021072156-A1 | Oral complement factor d inhibitors | 2019-10-09 |
| WO-2020123395-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| TW-202039487-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| AU-2019395338-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 2018-12-10 |
| BR-112021010842-A2 | 2-Oxoquinazoline Derivatives as Methionine Adenosyltransferase 2a Inhibitors | 2018-12-10 |
| CA-3121236-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| CN-113166078-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 2018-12-10 |
| EP-3894396-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| KR-20210103498-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 2018-12-10 |
