119378-70-0

Basic information

• Product Name: (4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL
• Synonyms: [4-(4-methylphenyl)piperazin-1-yl]aceticacidHCl;[4-(4-methylphenyl)piperazin-1-yl]aceticacidhydrochlorid;(4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL >98%;(4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL;[4-(4-methylphenyl)piperazin-1-yl]acetic acid hydrochloride
• CAS NO: 119378-70-0
• Molecular Formula: C₁₂H₁₆N₂O₂
• Molecular Weight: 270.75516
• Mol File: 119378-70-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 417°C at 760 mmHg
• Flash Point: 206°C
• Appearance: /
• Density: 1.190±0.06 g/cm3(Predicted)
• Vapor Pressure: 1.06E-07mmHg at 25°C
• PKA: 4.24±0.10(Predicted)
• CAS DataBase Reference: (4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL(CAS DataBase Reference)
• NIST Chemistry Reference: (4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL(119378-70-0)
• EPA Substance Registry System: (4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL(119378-70-0)

Safety Data

• Hazardous Substances Data: 119378-70-0(Hazardous Substances Data)

Usage

General Description

"(4-Phenyl-piperazin-1-yl)-acetic acid x HCL" is a chemical compound with the molecular formula C12H16N2O2·HCl. It is a salt form of (4-Phenyl-piperazin-1-yl)-acetic acid, which is a derivative of piperazine. (4-PHENYL-PIPERAZIN-1-YL)-ACETIC ACID X HCL is commonly used in pharmaceutical research and may have potential applications in the development of new medications.

InChI:InChI=1/C12H16N2O2.ClH/c15-12(16)10-13-6-8-14(9-7-13)11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,15,16);1H

Upstream product

• 56968-26-4 ethyl 2-(4-phenyl-piperarazin-1-yl)acetate 
• 92-54-6 4-phenyl-1-piperazine 

Downstream Products

• 170567-84-7 1-t-butoxycarbonylamino-3-(1H-indol-3-yl)-2-[N-(2-((4-phenyl)piperazin-1-yl)acetyl)amino]propane 
• 125762-96-1 (4-Phenyl-piperazin-1-yl)-acetic acid (2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester 

Relevant articles and documents

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Structurally constrained hybrid derivatives containing octahydrobenzo[g or f]quinoline moieties for dopamine D2 and D3 receptors: Binding characterization at D2/D3 receptors and elucidation of a pharmacophore model

A series of structurally constrained analogues based on hybrid compounds containing octahydrobenzo[g or f]quinoline moieties were designed, synthesized, and characterized for their binding to dopamine D2 and D3 receptors expressed in HEK-293 cells. Among the newly developed constrained molecules, trans-octahydrobenzo[f]quinolin-7-ol (8) exhibited the highest affinity for D2 and D3 receptors, the (-)-isomer being the eutomer. Interestingly, this hybrid constrained version 8 showed significant affinity over the corresponding nonhybrid version 1 (representing a constrained version of the aminotetralin structure only) when assayed under same conditions (Ki of 49.1 and 14.9 nM for 8 vs 380 and 96.0 nM for 1 at D2 and D3, respectively). Similar results were found with other lead hybrid compounds, indicating a contribution of the piperazine moiety in the observed enhanced affinity. On the basis of the data of new lead constrained derivatives and other lead hybrid derivatives developed by us, a unique pharmacophore model was proposed consisting of three pharmacophoric centers, two with aromatic/hydrophobic and one with cationic features.