Imazalil - 10mM in DMSO , CAS No.35554-44-0

CAS: 35554-44-0 Cat. No.: I423596 分子式: C₁₄H₁₄Cl₂N₂O 分子量: 297.18 Beilstein Registry Number: 545683 EC番号: 252-615-0

GRADE & PURITY 10mM in DMSO

Synonyms

Flo Pro IMZ | 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-, (+-)- | Deccozil S 75 | ENILCONAZOLE [HSDB] | 1-(2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl)-1H-imidazole | 1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | (+ o

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

Flo Pro IMZ | 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-, (+-)- | Deccozil S 75 | ENILCONAZOLE [HSDB] | 1-(2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl)-1H-imidazole | 1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | (+ o

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Pesticide commonly used for blue mold. Causes DNA damage in vivo . Fungicide and carcinogenic agent. Active in vitro and in vivo .

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528771924
• カノニカル・スマイル: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
• IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
• InChIKey: PZBPKYOVPCNPJY-UHFFFAOYSA-N
• INCHI: 1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
• 異性体SMILES: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
• WGKドイツ: 3
• RTECS: NI4776000
• UN番号: 2811
• 包装グループ: I
• 分子量: 297.18
• Beilstein: 545683
• Reaxy-Rn: 545683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=545683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dichlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Imidazole - Azole - Heteroaromatic compound - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: Conazole fungicides

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

関連ターゲット（人間）

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

Discover Target: Tdo2

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

Staphylococcus aureus (210822 Activities)

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

Saccharomyces cerevisiae (19171 Activities)

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

Aspergillus fumigatus (16427 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Candida albicans (78123 Activities)

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

Drechslera (102 Activities)

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

Fusarium culmorum (260 Activities)

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

Pseudomonas savastanoi pv. savastanoi (9 Activities)

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

Ido1 Indoleamine 2,3-dioxygenase 1 (313 Activities)

Discover Target: Ido1

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

HSP40, subfamily A, putative (505 Activities)

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

Colletotrichum truncatum (198 Activities)

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作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.5643
• 分子量: 297.200 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 296.048 Da
• Monoisotopic Mass: 296.048 Da
• Topological Polar Surface Area: 27.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 291.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Xiaoyu Yang.  (2023)  Simultaneous Enantioseparation of Three Chiral Antifungal Pesticides by Hydroxypropyl-γ-CD-Modified Micellar Electrokinetic Chromatography.  Journal of Analytical Methods in Chemistry,      [PMID:37849914] [10.1155/2023/9993526]

2. Jia Zhang, Wei Jiang, Zhihang Jia, Wenjie Zhang, Ting Zhang, Meng Wei.  (2022)  Stereoselective behavior and residues of the imazalil during strawberry growth and strawberry wine production.  JOURNAL OF FOOD PROTECTION,      [PMID:36916581] [10.1016/j.jfp.2022.10.005]

3. Xiao-Ting Zhen, Ya-Ling Yu, Min-Zhen Shi, Si-Chen Zhu, Tian-Ci Yan, Zi-Xuan Yue, Yu-Xin Gu, Hui Zheng, Jun Cao.  (2021)  Activated carbon derived from hawthorn kernel waste for rapid adsorption of fungicides.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2021.101700]

4. Yaliang Wang, Li Xu, Hui Zhu, Junguo Dong, Ping Cheng, Zhen Zhou.  (2019)  Spray-inlet microwave plasma torch and low temperature plasma ionization for ambient mass spectrometry of agrochemicals.  Analytical Methods,  11  (42): (5421-5430).  [PMID:] [10.1039/C9AY01978B]

5. Siyu Wei, Xinfang Wang, Xinyu Zhao, Ke Zhao, Linzhe Xu, Yingbo Chen.  (2023)  Detection of pesticide residues on flexible and transparent fluorinated polyimide film based on surface-enhanced Raman spectroscopy technology.  ANALYTICA CHIMICA ACTA,      [PMID:37977783] [10.1016/j.aca.2023.341958]