190001-40-2

Basic information

• Product Name: 4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: 1-BOC-4-CHLOROACETYL-PIPERAZINE;4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(2-CHLORO-ACETYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-butyl 4-(chloroacetyl)piperazine-1-carboxylate;4-Chloroacetyl-piperazine-1-carboxylic acid;1-BOC-4-CHLOROACETYL-PIPERAZINE, 4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER >98%;tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate;4-(Chloroacetyl)piperazine, N1-BOC protected
• CAS NO: 190001-40-2
• Molecular Formula: C₁₁H₁₉ClN₂O₃
• Molecular Weight: 262.73
• Product Categories: piperazines
• Mol File: 190001-40-2.mol
• Article Data: 33

Chemical Properties

• Melting Point: 99-100°C
• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 183.6°C
• Appearance: /
• Density: 1.203g/cm³
• Vapor Pressure: 5.67E-06mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: 4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(190001-40-2)
• EPA Substance Registry System: 4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(190001-40-2)

Safety Data

• Hazardous Substances Data: 190001-40-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H19ClN2O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8H2,1-3H3

Upstream product

• 861359-74-2 diisopropylethyl amine 
• 79-04-9 chloroacetyl chloride 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 1010925-33-3 tert-butyl 4-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetyl]-piperazine-1-carboxylate 
• 1380297-11-9 benzyl 4-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetyl)piperazine-1-carboxylate 
• 1380297-12-0 4-nitrophenyl 4-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetyl)piperazine-1-carboxylate 
• 1190643-95-8 2-{1-[1-(4-chloro-phenyl)-cyclobutyl]-3,4-dihydro-isoquinolin-7-yloxy}-1-piperazin-1-yl-ethanone 

Relevant articles and documents

Parallel synthesis of isatin-based serine protease inhibitors

The synthesis of N-functionalised isatins using parallel, solution synthesis is described. Functionalised polymers were employed as stoichiometric and catalytic reagents as well as purification media in the exercise, and the derivatives were screened against a panel of serine proteases; high percentage inhibition was observed in several cases. (C) 2000 Elsevier Science Ltd.

Indoles and 1-(3-(benzyloxy)benzyl)piperazines: Reversible and selective monoamine oxidase B inhibitors identified by screening an in-house compound library

The therapeutic indications for monoamine oxidases A and B (MAO-A and MAO-B) inhibitors that have emerged from biological studies on animal and cellular models of neurological and oncological diseases have focused drug discovery projects upon identifying

Design, synthesis, and in vivo and in silico evaluation of coumarin derivatives with potential antidepressant effects

In this study, a series of coumarin derivatives were designed and synthesized, their structures were characterized using nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS) testing methods. In the pharmacological experiment, two behavior-monitoring methods, the forced swim test (FST) and the tail suspension test (TST), were used to determine the antidepressant activity of coumarin derivatives. Compounds that showed potential activity were analyzed for their effects on 5-hydroxytryptamine (5-HT) levels in the brains of mice. Molecular docking experiments to simulate the possible interaction of these compounds with the 5-HT1A receptor was also be predicted. The results of the pharmacological experiments showed that most coumarin derivatives exhibited significant antidepressant activity. Among these compounds, 7-(2-(4-(4-fluorobenzyl)piperazin-1-yl)-2-oxoethoxy)-2H-chromen-2-one (6i) showed the highest antidepressant activity. The results of the measurement of 5-HT levels in the brains of mice indicate that the antidepressant activity of coumarin derivatives may be mediated by elevated 5-HT levels. The results of molecular docking demonstrated that compound 6i had a significant interaction with amino acids around the active site of the 5-HT1A receptor in the homology model. The physicochemical and pharmacokinetic properties of the target compounds were also predicted using Discovery Studio (DS) 2020 and Chemdraw 14.0.

Imaging Autotaxin in Vivo with 18F-Labeled Positron Emission Tomography Ligands

Autotaxin (ATX) is a secreted phosphodiesterase that has been implicated in a remarkably wide array of pathologies, especially in fibrosis and cancer. While ATX inhibitors have entered the clinical arena, a validated probe for positron emission tomography (PET) is currently lacking. With the aim to develop a suitable ATX-targeted PET radioligand, we have synthesized a focused library of fluorinated imidazo[1,2-a]pyridine derivatives, determined their inhibition constants, and confirmed their binding mode by crystallographic analysis. Based on their promising in vitro properties, compounds 9c, 9f, 9h, and 9j were radiofluorinated. Also, a deuterated analog of [18F]9j, designated as [18F]ATX-1905 ([18F]20), was designed and proved to be highly stable against in vivo radiodefluorination compared with [18F]9c, [18F]9f, [18F]9h, and [18F]9j. These results along with in vitro and in vivo studies toward ATX in a mouse model of LPS-induced liver injury suggest that [18F]ATX-1905 is a suitable PET probe for the non-invasive quantification of ATX.