938043-30-2

Basic information

• Product Name: 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95%
• Synonyms: 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95%;1-Methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine;4-(4-Methylpiperazino)methylphenylboronic acid, pinacol ester;4-(4-METHYL-1-PIPERAZINYLMETHYL)BENZENEBORONIC ACID PINACOL ESTER,95%;4-((4-Methylpiperazin-1-yl)methyl)-phenylboronic acid pinacol ester;1-Methyl-4-[[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]Methyl]piperazine;1-methyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine;4-[(4-Methylpiperazin-1-yl)methyl]benzeneboronicacidpinacolester
• CAS NO: 938043-30-2
• Molecular Formula: C₁₈H₂₉BN₂O₂
• Molecular Weight: 316.26
• Mol File: 938043-30-2.mol
• Article Data: 17

Chemical Properties

• Melting Point: 61-65°C
• Boiling Point: 412.7±35.0 °C(Predicted)
• Appearance: /
• Density: 1.06±0.1 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 7.59±0.10(Predicted)
• CAS DataBase Reference: 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95%(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95%(938043-30-2)
• EPA Substance Registry System: 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95%(938043-30-2)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 938043-30-2(Hazardous Substances Data)

Usage

General Description

4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% is a chemical compound commonly used in pharmaceutical and research applications. It is a boronic acid derivative that contains a benzene ring, a piperazine group, and a boronic acid functional group. The pinacol ester moiety enhances the stability and solubility of the compound, making it suitable for use in various reactions and assays. With a purity of 95%, this compound is highly concentrated and reliable for use in chemical synthesis, drug discovery, and biological studies. Its unique structure and properties make it a valuable tool in medicinal chemistry and related fields.

Upstream product

• 368879-17-8 4-[(4-methylpiperazin-1-yl)methyl]bromobenzene 
• 73183-34-3 bis(pinacol)diborane 
• 106-38-7 para-bromotoluene 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 59016-93-2 p-hydroxymethylphenylboronic acid 
• 109-01-3 1-methyl-piperazine 
• 302348-51-2 (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 138500-85-3 4-bromomethylphenylboronic acid pinacol ester 

Downstream Products

• 1398796-15-0 (S)-2-amino-N-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethyl)bicyclo[2.2.1]heptane-2-carboxamide 
• 1398717-91-3 (S)-2-amino-N-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethyl)-2,3-dihydro-1H-indene-2-carboxamide 
• 1398717-89-9 (S)-1-amino-N-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethyl)cyclopentanecarboxamide 
• 1398717-87-7 (S)-8-amino-N-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide 
• 1398718-57-4 (S)-D₆-(9H-fluoren-9-yl)methyl 1-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)cyclohexylcarbamate 
• 1398796-17-2 (S)-(9H-fluoren-9-yl)methyl 2-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)bicyclo[2.2.1]heptan-2-ylcarbamate 
• 1398718-54-1 (S)-tert-butyl 2-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)-2,3-dihydro-1H-inden-2-ylcarbamate 
• 1398718-52-9 (S)-(9H-fluoren-9-yl)methyl 1-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)cyclopentylcarbamate 
• 1398718-50-7 (S)-(9H-fluoren-9-yl)methyl 8-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethylcarbamoyl)-1,4-dioxaspiro[4.5]decan-8-ylcarbamate 
• 1398717-81-1 (S)-1-amino-N-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)biphenyl-4-yl)ethyl)cyclohexanecarboxamide 
• 1398718-36-9 (S)-(9H-fluoren-9-yl)methyl 1-(1-cyano-2-(4'-((4-methylpiperazin-1-yl)methyl)-biphenyl-4-yl)ethylcarbamoyl)cyclohexylcarbamate 
• 1398717-93-5 (S)-D₆-1-amino-N-(1-cyano-2-(4'-((4-methyl-piperazin-1-yl)methyl)biphenyl-4-yl)ethyl)cyclohexanecarboxamide 
• 1351478-19-7 C₃₃H₃₅N₅O₃S 
• 1351477-46-7 4-{2-methyl-5-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}-thiazol-2-ylamine 

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.

1,5,7-TRISUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES

The present disclosure relates to 1,5,7-trisubstituted isoquinoline derivatives, their preparation and pharmaceutical use. In particular, the present disclosure discloses a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate or prodrug thereof, and a preparation method and use thereof. The definitions of the groups in the formula can be found in the specification and claims.

PYRIDINE-3-SULFONAMIDE COMPOUNDS AS PI3-KINASE INHIBITORS

The invention is directed to compounds of formula (I) and salts thereof. The compounds are inhibitors of kinase activity, in particular PI3-kinase activity.