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88671-89-0,MFCD00144818
Catalog No.:AA0048HP

88671-89-0 | 2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile

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50mg
≥98%
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$88.00   $61.00
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100mg
≥98%
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$130.00   $91.00
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200mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0048HP
Chemical Name:
2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile
CAS Number:
88671-89-0
Molecular Formula:
C15H17ClN4
Molecular Weight:
288.7753
MDL Number:
MFCD00144818
SMILES:
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
UN Number:
2763
Properties
Properties
 
BP:
465.2°C at 760 mmHg  
Form:
Solid  
MP:
63-68°C  
Refractive Index:
1.6110 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
345  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.9  

Literature

Title: Phenotypic and biomarker evaluation of zebrafish larvae as an alternative model to predict mammalian hepatotoxicity.

Journal: Journal of applied toxicology : JAT 20160901

Title: Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study.

Journal: Environmental health perspectives 20150501

Title: Identification of modulators of the nuclear receptor peroxisome proliferator-activated receptor α (PPARα) in a mouse liver gene expression compendium.

Journal: PloS one 20150101

Title: Identification of chemical modulators of the constitutive activated receptor (CAR) in a gene expression compendium.

Journal: Nuclear receptor signaling 20150101

Title: The effects of the fungicides fenhexamid and myclobutanil on SH-SY5Y and U-251 MG human cell lines.

Journal: Environmental toxicology and pharmacology 20141101

Title: Comparison of osteoblast and cardiomyocyte differentiation in the embryonic stem cell test for predicting embryotoxicity in vivo.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20140901

Title: Two azole fungicides (carcinogenic triadimefon and non-carcinogenic myclobutanil) exhibit different hepatic cytochrome P450 activities in medaka fish.

Journal: Journal of hazardous materials 20140730

Title: Concordance of transcriptional and apical benchmark dose levels for conazole-induced liver effects in mice.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20131101

Title: Analysis of microRNA and gene expression profiling in triazole fungicide-treated HepG2 cell line.

Journal: Toxicology 20130107

Title: Dissipation and residue of myclobutanil in lychee.

Journal: Bulletin of environmental contamination and toxicology 20120601

Title: Dissipation and residues of myclobutanil in tobacco and soil under field conditions.

Journal: Bulletin of environmental contamination and toxicology 20120501

Title: Orchard factors associated with resistance and cross resistance to sterol demethylation inhibitor fungicides in populations of Venturia inaequalis from Pennsylvania.

Journal: Phytopathology 20120301

Title: Enantioselective analysis of triazole fungicide myclobutanil in cucumber and soil under different application modes by chiral liquid chromatography/tandem mass spectrometry.

Journal: Journal of agricultural and food chemistry 20120227

Title: Residue analysis and degradation studies of fenbuconazole and myclobutanil in strawberry by chiral high-performance liquid chromatography-tandem mass spectrometry.

Journal: Journal of agricultural and food chemistry 20111123

Title: Enantiomeric separation of triazole fungicides with 3-μm and 5-μml particle chiral columns by reverse-phase high-performance liquid chromatography.

Journal: Chirality 20110701

Title: Comparison of the mouse Embryonic Stem cell Test, the rat Whole Embryo Culture and the Zebrafish Embryotoxicity Test as alternative methods for developmental toxicity testing of six 1,2,4-triazoles.

Journal: Toxicology and applied pharmacology 20110601

Title: Effect of reduced risk pesticides on greenhouse vegetable arthropod biological control agents.

Journal: Pest management science 20110101

Title: Interaction between vine pesticides and bovine serum albumin studied by nuclear spin relaxation data.

Journal: Journal of agricultural and food chemistry 20101013

Title: A potential microRNA signature for tumorigenic conazoles in mouse liver.

Journal: Molecular carcinogenesis 20100401

Title: Sensitivity of Podosphaera aphanis isolates to DMI fungicides: distribution and reduced cross-sensitivity.

Journal: Pest management science 20100101

Title: Inhibition of rat and human steroidogenesis by triazole antifungals.

Journal: Systems biology in reproductive medicine 20091201

Title: Within- and between-orchard variability in the sensitivity of Venturia inaequalis to myclobutanil, a DMI fungicide, in the UK.

Journal: Pest management science 20091101

Title: Mode of action for reproductive and hepatic toxicity inferred from a genomic study of triazole antifungals.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20090801

Title: Toxicogenomic effects common to triazole antifungals and conserved between rats and humans.

Journal: Toxicology and applied pharmacology 20090701

Title: Cyclodextrin-modified MEKC for enantioseparation of hexaconazole, penconazole, and myclobutanil.

Journal: Journal of separation science 20090201

Title: Three conazoles increase hepatic microsomal retinoic acid metabolism and decrease mouse hepatic retinoic acid levels in vivo.

Journal: Toxicology and applied pharmacology 20090115

Title: Systemic properties of myclobutanil in soybean plants, affecting control of Asian soybean rust (Phakopsora pachyrhizi).

Journal: Pest management science 20081201

Title: The chiral separation of triazole pesticides enantiomers by amylose-tris (3,5-dimethylphenylcarbamate) chiral stationary phase.

Journal: Journal of chromatographic science 20081001

Title: Transcriptional responses in thyroid tissues from rats treated with a tumorigenic and a non-tumorigenic triazole conazole fungicide.

Journal: Toxicology and applied pharmacology 20080315

Title: Quantitative analysis of three chiral pesticide enantiomers by high-performance column liquid chromatography.

Journal: Journal of AOAC International 20080101

Title: Toxicogenomic study of triazole fungicides and perfluoroalkyl acids in rat livers predicts toxicity and categorizes chemicals based on mechanisms of toxicity.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20070601

Title: Induction of cytochrome P450 enzymes in rat liver by two conazoles, myclobutanil and triadimefon.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20070201

Title: Disruption of testosterone homeostasis as a mode of action for the reproductive toxicity of triazole fungicides in the male rat.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20070101

Title: Comparison of lanosterol-14 alpha-demethylase (CYP51) of human and Candida albicans for inhibition by different antifungal azoles.

Journal: Toxicology 20061110

Title: Gene expression profiling in liver and testis of rats to characterize the toxicity of triazole fungicides.

Journal: Toxicology and applied pharmacology 20060915

Title: Gene expression profiling in the liver of CD-1 mice to characterize the hepatotoxicity of triazole fungicides.

Journal: Toxicology and applied pharmacology 20060915

Title: Metabolism of myclobutanil and triadimefon by human and rat cytochrome P450 enzymes and liver microsomes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20060901

Title: An exploration of the relationship between adsorption and bioavailability of pesticides in soil to earthworm.

Journal: Environmental pollution (Barking, Essex : 1987) 20060601

Title: Toxicity profiles in mice treated with hepatotumorigenic and non-hepatotumorigenic triazole conazole fungicides: Propiconazole, triadimefon, and myclobutanil.

Journal: Toxicologic pathology 20060101

Title: Transcriptional profiles in liver from mice treated with hepatotumorigenic and nonhepatotumorigenic triazole conazole fungicides: Propiconazole, triadimefon, and myclobutanil.

Journal: Toxicologic pathology 20060101

Title: Transcriptional profiles in liver from rats treated with tumorigenic and non-tumorigenic triazole conazole fungicides: Propiconazole, triadimefon, and myclobutanil.

Journal: Toxicologic pathology 20060101

Title: Toxicity profiles in rats treated with tumorigenic and nontumorigenic triazole conazole fungicides: Propiconazole, triadimefon, and myclobutanil.

Journal: Toxicologic pathology 20060101

Title: Behavior of myclobutanil, propiconazole, and nuarimol residues during lager beer brewing.

Journal: Journal of agricultural and food chemistry 20051102

Title: Bioavailability of butachlor and myclobutanil residues in soil to earthworms.

Journal: Chemosphere 20050501

Title: Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay.

Journal: Archives of environmental contamination and toxicology 20040501

Title: Cloning and expression analysis of the ATP-binding cassette transporter gene MFABC1 and the alternative oxidase gene MfAOX1 from Monilinia fructicola.

Journal: Pest management science 20031001

Title: Development of a selective myclobutanil agar (MBA) medium for the isolation of Fusarium species from asparagus fields.

Journal: Canadian journal of microbiology 20020901

Title: First highly stereoselective synthesis of fungicide systhane.

Journal: Organic letters 20020110

Title: Stellavato A, et al. Myclobutanil worsens nonalcoholic fatty liver disease: An in vitro study of toxicity and apoptosis on HepG2 cells. Toxicol Lett. 2016 Nov 16;262:100-104.

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Tags:88671-89-0 Molecular Formula|88671-89-0 MDL|88671-89-0 SMILES|88671-89-0 2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile