Uniconazole - 10mM in DMSO , CAS No.83657-22-1

CAS: 83657-22-1 Cat. No.: U426167 Summenformel: C₁₅H₁₈ClN₃O Molekulargewicht: 291.78 EG-Nummer: 617-483-4

GRADE & PURITY 10mM in DMSO

Synonyms

Sumagit | XE 1019 | Fenpentezol | Uniconazole, analytical standard | XE 1019D | (-)-(E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol | AS-15188 | SCHEMBL24233 | (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

Sumagit | XE 1019 | Fenpentezol | Uniconazole, analytical standard | XE 1019D | (-)-(E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol | AS-15188 | SCHEMBL24233 | (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Cytochrome P450 monooxygenase inhibitor. Inhibits plant growth and suppresses gibberelin and sterol biosynthesis.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
• IUPAC Name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
• InChIKey: YNWVFADWVLCOPU-MDWZMJQESA-N
• INCHI: 1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
• Isomere SMILES: CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
• Molekulargewicht: 291.78
• Reaxy-Rn: 662790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=662790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamyl alcohols

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamyl alcohols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamyl alcohols
• Alternative Parents: Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamyl alcohol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety.
• External Descriptors: secondary alcohol - monochlorobenzenes - triazoles

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Oryza sativa (2923 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lepidium sativum (398 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 291.770 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 291.114 Da
• Monoisotopic Mass: 291.114 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referenzen

1. Hui Ye, Yuqin Luo, Yanjie Li, Xiangyun Wang, Hongmei He, Jinhua Jiang, Jianzhong Yu, Changpeng Zhang.  (2023)  Residues and Dietary Risk Assessment of Prohexadione-Ca and Uniconazole in Oryza sativa L. and Citrus reticulata Blanco by Liquid Chromatography-Tandem Mass Spectrometry.  MOLECULES,  28  (6): (2611).  [PMID:36985589] [10.3390/molecules28062611]

2. Jing Nie, Jiabei Zhou, Yi Shen, Ruimiao Lin, Haihong Hu, Kui Zeng, Huichang Bi, Min Huang, Lushan Yu, Su Zeng, Jing Miao.  (2023)  Studies on the interaction of five triazole fungicides with human renal transporters in cells.  TOXICOLOGY IN VITRO,      [PMID:36669674] [10.1016/j.tiv.2023.105555]

3. Rui Cheng, Yiqun Wan, Xuejin Mao, Hao Wan, Fan Liu, Lan Guo, Bingzhen Zhang.  (2024)  Regulating the defects of MIL-101(Cr) for the efficient and simultaneous determination of eleven plant growth regulators in fresh fruit juice.  FOOD CHEMISTRY,      [PMID:38341916] [10.1016/j.foodchem.2024.138666]

4. Qingqing Zhang, Xuejin Mao, Changrong Yuan, Jiexue Zhao, Hui Hu, Aiping Yan, Yuanxing Wang, Weiming Xiao.  (2022)  A simplified dispersive solid-phase extraction using a shaped zirconium-based metal–organic framework: Constructing a novel, facile and efficient method for detecting plant growth regulators in citrus fruits.  FOOD CHEMISTRY,      [PMID:36410219] [10.1016/j.foodchem.2022.134862]

5. Yuanjing Lin, Jialiang Guo, Hang Lin, Jincai Wang, Govert W. Somsen, Jacques Crommen, Zhengjin Jiang.  (2017)  Effect of fabrication strategy on the enantioseparation performance of β-cyclodextrin-functionalized polymethacrylate monoliths: A comparative evaluation.  JOURNAL OF SEPARATION SCIENCE,  40  (19): (3754-3762).  [PMID:28749038] [10.1002/jssc.201700424]

6. Tailong Wei, Xiao Chen, Chong Cai, Yuanzhen Guo, Mengjun Zhou, Qiannan Gao, Qinghua He.  (2025)  SpyTagged Mimotope Peptide Mediated Competitive Antigen-Based Rapid Quantitative Immunoassays for Uniconazole Residue.  Foods,  14  (24):   [PMID:41465064] [10.3390/foods14244358]

Häufig gestellte Fragen

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 83657-22-1, the molecular formula is C15H18ClN3O, and the molecular weight is 291.78 g/mol. InChIKey YNWVFADWVLCOPU-MDWZMJQESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.