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34161-24-5,MFCD00865385
Catalog No.:AA00C0HX

34161-24-5 | 1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine

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Purity
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25mg
95%
1 week  
$93.00   $65.00
- +
50mg
95%
1 week  
$104.00   $73.00
- +
100mg
95%
1 week  
$115.00   $80.00
- +
200mg
95%
1 week  
$143.00   $100.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C0HX
Chemical Name:
1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine
CAS Number:
34161-24-5
Molecular Formula:
C20H21ClN2O4
Molecular Weight:
388.8447
MDL Number:
MFCD00865385
SMILES:
Clc1ccc(cc1)OCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
492  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
5  
XLogP3:
3.2  

Literature

Title: Evaluating the Role of Multidrug Resistance Protein 3 (MDR3) Inhibition in Predicting Drug-Induced Liver Injury Using 125 Pharmaceuticals.

Journal: Chemical research in toxicology 20170515

Title: Bioactivation of sitaxentan in liver microsomes, hepatocytes, and expressed human P450s with characterization of the glutathione conjugate by liquid chromatography tandem mass spectrometry.

Journal: Chemical research in toxicology 20130617

Title: Palmitate increases the susceptibility of cells to drug-induced toxicity: an in vitro method to identify drugs with potential contraindications in patients with metabolic disease.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20121001

Title: Enhanced screening of glutathione-trapped reactive metabolites by in-source collision-induced dissociation and extraction of product ion using UHPLC-high resolution mass spectrometry.

Journal: Analytical chemistry 20111215

Title: Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Journal: PLoS computational biology 20111201

Title: A predictive ligand-based Bayesian model for human drug-induced liver injury.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20101201

Title: Improved detection of reactive metabolites with a bromine-containing glutathione analog using mass defect and isotope pattern matching.

Journal: Rapid communications in mass spectrometry : RCM 20100515

Title: Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3.

Journal: Current chemical genomics 20100101

Title: Metabolomics in drug intolerance.

Journal: Current drug metabolism 20091101

Title: Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.

Journal: Journal of medicinal chemistry 20080124

Title: Investigating the in vitro metabolism of fipexide: characterization of reactive metabolites using liquid chromatography/mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM 20070101

Title: Determining protein adducts of fipexide: mass spectrometry based assay for confirming the involvement of its reactive metabolite in covalent binding.

Journal: Rapid communications in mass spectrometry : RCM 20070101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Studies on the metabolism and the toxicological analysis of the nootropic drug fipexide in rat urine using gas chromatography-mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040525

Title: Effects of methyl mercury, mercuric sulfide and cinnabar on active avoidance responses, Na+/K+-ATPase activities and tissue mercury contents in rats.

Journal: Proceedings of the National Science Council, Republic of China. Part B, Life sciences 20010401

Title: A Marino, et al. Fipexide improvement of cognitive functions in rat: behavioural and neurochemical studies. Pharmacol Res. Mar-Apr 1990;22(2):179-87.

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Tags:34161-24-5 Molecular Formula|34161-24-5 MDL|34161-24-5 SMILES|34161-24-5 1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine