938043-30-2

Usage

Uses

Used in Pharmaceutical Synthesis:
4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of new drugs with potential therapeutic applications.
Used in Drug Discovery:
In the field of drug discovery, 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% serves as a valuable tool for the identification and development of novel bioactive molecules. Its presence in assays can help in the screening and optimization of potential drug candidates.
Used in Biological Studies:
4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% is employed in biological studies to investigate its interactions with biological targets, such as enzymes or receptors. This can lead to a better understanding of its potential biological activities and mechanisms of action.
Used in Chemical Research:
In chemical research, 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% is applied to explore new reaction pathways and to develop innovative synthetic methodologies. Its unique boronic acid functionality can be exploited in various organic transformations.
Used in Medicinal Chemistry:
4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 95% is leveraged in medicinal chemistry for the design and synthesis of new therapeutic agents. Its structural features can be tailored to target specific diseases or conditions, contributing to the advancement of personalized medicine.

Upstream product

• 109-01-3 1-methyl-piperazine 
• 138500-85-3 4-bromomethylphenylboronic acid pinacol ester 
• 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 
• 302348-51-2 (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol 
• 589-15-1 1-bromomethyl-4-bromobenzene 

Downstream Products

• 1429882-07-4 trans-4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol 
• 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 

Relevant academic research and scientific papers

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.

Novel 3-(substituted amino)-6-alkyl-pyrazine-2-carboxamide derivatives and use thereof

A novel 3 -6 - alkyl-pyrazine -2 - carboxamide derivative or a pharmaceutically acceptable salt thereof. A pharmaceutical composition for preventing or treating MerTTK-related diseases and a method for preventing or treating MerTTK-related diseases contains the same as an active ingredient.

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.

Bis(het)aryl-1,2,3-triazole quinuclidines as α7 nicotinic acetylcholine receptor ligands: Synthesis, structure affinity relationships, agonism activity, [18F]-radiolabeling and PET study in rats

In this paper we describe the design and synthesis of bis(Het)Aryl-1,2,3-triazole quinuclidine α7R ligands using an efficient three-step sequence including a Suzuki-Miyaura cross coupling reaction with commercially available and home-made boron derivatives. The exploration of SAR required the preparation of uncommon boron derivatives. Forty final drugs were tested for their ability to bind the target and nine of them exhibited Ki values below nanomolar concentrations. The best scores were always obtained when the 5-phenyl-2-thiophenyl core was attached to the triazole. The selectivity of these compounds towards the nicotinic α4β2 and serotoninergic 5HT3 receptors was assessed and their brain penetration was quantified by the preparation and in vivo evaluation of two [18F] radiolabelled derivatives. It can be expected from our results that some of these compounds will be suitable for further developments and will have effects on cognitive disorders.

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.

PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF

Disclosed herein is a compound of Formula (AIII) or (III), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS

The invention relates to compounds of Formula (I) and their use as selective pharmaceutical compositions comprising said compounds, and methods of treatment involving said compounds.

Structure-based optimization leads to the discovery of NSC765844, a highly potent, less toxic and orally efficacious dual PI3K/mTOR inhibitor

The phosphoinositide 3-kinase (PI3K) family is one of the most frequently activated enzymes in a wide range of human cancers; thus, inhibition of PI3K represents a promising strategy for cancer therapy. Herein, a series of benzylamine substituted arylsulfonamides were designed and synthesized as dual PI3K/mTOR inhibitors using a strategy integrating focused library design and virtual screening, resulting in the discovery of 13b (NSC765844). The compound 13b exhibits highly potent enzyme inhibition with IC50s of 1.3, 1.8, 1.5, 3.8 and 3.8?nM for PI3Kα, β, γ, δ, and mTOR, respectively. 13b was further evaluated in NCI by an in?vitro cytotoxic screening program. Broad-spectrum antitumor activities with mean GI50value of 18.6?nM against approximately 60 human tumor cell lines were found. 13b displayed favorable physicochemical properties and superior pharmacokinetic profiles for animal studies. It significantly inhibited tumor growth when administered orally in an A549 non-small-cell lung carcinoma xenograft and BEL7404 human hepatocellular carcinoma xenograft models. On the basis of its excellent in?vivo efficacy and superior pharmacokinetic profiles, 13b has been selected for further preclinical investigation as a promising anticancer drug candidate.

PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS

The invention relates to compounds of Formula (I) and their use as selective dipeptidyl peptidase I inhibitors, as well as pharmaceutical compositions comprising said compounds, and methods of treatment involving said compounds.

Synthesis of amines with pendant boronic esters by borrowing hydrogen catalysis

Amine alkylation reactions of alcohols have been performed in the presence of boronic ester groups to provide products which are known to have use as molecular sensors. The boronic ester moiety could be present in either the alcohol or amine starting mate