Uniconazole Solution in Acetonitrile - 1000μg/mL in Acetonitrile，Uncertainty 2% , CAS No.83657-22-1

CAS: 83657-22-1 Cat. No.: BWY396733 Peso molecular: 291.78 Número EC: 617-483-4

GRADE & PURITY 1000μg/mL in Acetonitrile，Uncertainty 2%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

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

Especificaciones y pureza

1000μg/mL in Acetonitrile，Uncertainty 2%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: 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+
• Isómeros SMILES: CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
• Peso molecular: 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
    • Clase Cinnamyl alcohols

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

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]