1171044-16-8

Basic information

• Product Name: (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid
• Synonyms: (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid;B-[3-[(4-Methyl-1-piperazinyl)methyl]phenyl]boronic acid
• CAS NO: 1171044-16-8
• Molecular Formula: C₁₂H₁₉BN₂O₂
• Molecular Weight: 234.10246
• Product Categories: Boronate Ester;Boronic Acid;Potassium Trifluoroborate
• Mol File: 1171044-16-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid(1171044-16-8)
• EPA Substance Registry System: (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid(1171044-16-8)

Safety Data

• Hazardous Substances Data: 1171044-16-8(Hazardous Substances Data)

Usage

General Description

(3-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid is a chemical compound with the molecular formula C12H18BNO2. It is a boronic acid derivative containing a boron atom attached to a phenyl ring, which in turn is linked to a molecule of 4-methylpiperazine. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them useful in the development of pharmaceuticals, materials science, and chemical biology. The presence of a piperazine group in this compound suggests potential pharmacological activity, as piperazine derivatives are commonly used in pharmaceutical research and drug development. The specific properties and applications of (3-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid would depend on its use in various chemical, biochemical, and medicinal contexts.

Upstream product

• 109-01-3 1-methyl-piperazine 
• 51323-43-4 (3-(bromomethyl)phenyl)boronic acid 
• 180516-87-4 4-carboxyphenylboronic acid pinacol ester 
• 87199-16-4 3-Formylphenylboronic acid 

Downstream Products

• 1171040-01-9 methyl-{5-[3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-[2,2';4',3]terpyridin-6'-yl}-amine 
• 1171040-30-4 cyclopropyl-{6-methyl-5''-[3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-[2,2';4',3]terpyridin-6'-yl}-amine 

Relevant articles and documents

Structure-based design, synthesis, and evaluation of inhibitors with high selectivity for PARP-1 over PARP-2

The poly (ADP-ribose) polymerase (PARP) inhibitors play a crucial role in cancer therapy. However, most approved PARP inhibitors have lower selectivity to PARP-1 than to PARP-2, so they will inevitably have side effects. Based on the different catalytic domains of PARP-1 and PARP-2, we developed a strategy to design and synthesize highly selective PARP-1 inhibitors. Compounds Y17, Y29, Y31 and Y49 showed excellent PARP-1 inhibition, and their IC50 values were 0.61, 0.66, 0.41 and 0.96 nM, respectively. Then, Y49 (PARP-1 IC50 = 0.96 nM, PARP-2 IC50 = 61.90 nM, selectivity PARP-2/PARP-1 = 64.5) was proved to be the most selective inhibitor of PARP-1. Compounds Y29 and Y49 showed stronger inhibitory effect on proliferation in BRCA1 mutant MX-1 cells than in other cancer cells. In the MDA-MB-436 xenotransplantation model, Y49 was well tolerated and showed remarkable single dose activity. The design strategy proposed in this paper is of far-reaching significance for the further construction of the next generation of selective PARP-1 inhibitors.

ORGANIC COMPOUNDS

Compounds of formula (I) in free or salt or solvate form, where T1, T2, X, Ra, Rb, R8 and R9 have the meanings as indicated in the specification, are useful for treating inflammatory or obstructive airways, pulmonary hypertension, pulmonary fibrosis, liver fibrosis, muscle diseases and systemic skeletal disorders. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.