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3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester

3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester

Name: 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C18H27BN2O3

Molecular Weight:

330.23

Product Information

Molecular Formula:

C18H27BN2O3

Molecular Weight:

330.23

Description

3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, as a boronic acid derivative, specifically targets and inhibits the activity of key enzymes involved in the growth and proliferation of cancer cells. Due to its unique mechanism of action and high specificity for tumor cells, this product is widely used in cancer drug development.

Synonyms

(4-Methylpiperazin-1-yl)(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone; 3-(4-methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester; (4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; 3-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester; [3-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid pinacol ester; n-(4-methylpiperazine)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide

IUPAC Name

(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-7-14(13-15)16(22)21-11-9-20(5)10-12-21/h6-8,13H,9-12H2,1-5H3

InChI Key

ZYDMNNQZEUSDGG-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

330.2114729 g/mol

Monoisotopic Mass

330.2114729 g/mol

Topological Polar Surface Area

42Å²

Heavy Atom Count

Formal Charge

Complexity

459

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

Publication Number	Title	Priority Date
EP-3344613-A1	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
EP-3344613-B1	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
JP-2018528189-A	Heteroaryl compounds and their use as therapeutic agents	2015-08-31
RU-2723480-C2	Heteroaryl compounds and use thereof as therapeutic drugs	2015-08-31
US-10125118-B2	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
US-2017066742-A1	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
US-2017355690-A9	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
US-2019119252-A1	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
WO-2017039331-A1	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31
AU-2016317806-B2	Heteroaryl compounds and their use as therapeutic drugs	2015-08-31