3-N-(BOC)aminomethylphenylboronic acid

Name: 3-N-(BOC)aminomethylphenylboronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C12H18BNO4

Molecular Weight:

251.1

CAS Number:

199609-62-6

Catalog Number:

199609-62-6

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

251.1328882 g/mol

Monoisotopic Mass

251.1328882 g/mol

Topological Polar Surface Area

78.8Å²

Heavy Atom Count

Formal Charge

Complexity

278

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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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