Cypermethrin - analytical standard, Moligand™ , CAS No.52315-07-8

CAS: 52315-07-8 Cat. No.: C109861 분자식: C₂₂H₁₉Cl₂NO₃ 분자량: 416.3 Beilstein Registry Number: 8444118 EC 번호: 257-842-9

등급 & 순도 Analytical standard, Moligand™

Synonyms

Alphamethrine

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice,FedEx DG Service

사양

동의어

Alphamethrine

사양 및 순도

analytical standard, Moligand™

생화학 및 생리적 메커니즘

Synthetic pyrethroid. Interacts with sodium channels inducing cellular hyperexcitability leading to neurotoxicity. Additionally inhibits calcineurin. Active in vivo . Blood-brain barrier permeable.

보관 조건

Store at 2-8°C,Protected from light,Desiccated

배송

Wet ice,FedEx DG Service

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등급

Moligand™, 분석 표준물질

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

이름과 식별자

Pubchem Sid

504750619

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750619

정식 스마일

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C

IUPAC Name

[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

KAATUXNTWXVJKI-UHFFFAOYSA-N

INCHI

1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

이성체 SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C

WGK 독일

3

대체 CAS

86753-92-6

UN 번호

3077

포장 그룹

III

분자량

416.3

Beilstein

8444118

Reaxy-Rn

5773157

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5773157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Diphenylethers Diarylethers Benzyloxycarbonyls Phenoxy compounds Phenol ethers Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Ketene acetals Chloroalkenes Vinyl chlorides Monocarboxylic acids and derivatives Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Diphenylether - Diaryl ether - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Chloroalkene - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Haloalkene - Vinyl halide - Vinyl chloride - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group.
• External Descriptors: Pyrethroid insecticides - Pyrethroid pesticides

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

관련 대상(인간)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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

관련 대상(비인간)

Spodoptera frugiperda (784 Activities)

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Trichoplusia ni (986 Activities)

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H4 (48 Activities)

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Heliothis virescens (272 Activities)

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Plutella xylostella (1838 Activities)

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Aphis gossypii (526 Activities)

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Bemisia tabaci (599 Activities)

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Blattella germanica (87 Activities)

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Helicoverpa zea (137 Activities)

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Spodoptera exigua (540 Activities)

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Spodoptera litura (1708 Activities)

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

Discover Target: Nfe2l2

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Helicoverpa armigera (708 Activities)

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

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Culex pipiens pallens (759 Activities)

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Trichogramma nubilale (84 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 굴절률: 1.57
• 발화점(°C): 100°C
• 녹는점(°C): 60-80°C
• 분자량: 416.300 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 415.074 Da
• Monoisotopic Mass: 415.074 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1