Pyrimorph - ≥98% , CAS No.868390-90-3

CAS: 868390-90-3 Cat. No.: P413117 Fórmula: C₂₂H₂₅ClN₂O₂ Peso molecular: 384.9 PubChem CID: 46220487

GRAU & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Pyrimorph is a fungicide with high activity against the plant pathogen Phytophthora capsici that inhibits different stages in the life cycle of P. capsici including mycelial growth, sporangium production, zoospore release, and cystospore germination with EC50 of 1.84 mg/mL, 0.17 mg/mL, 4.92 mg/mL, and 0.09 mg/mL, respectively.

Especificações

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Pyrimorph is a fungicide with high activity against the plant pathogen Phytophthora capsici that inhibits different stages in the life cycle of P. capsici including mycelial growth, sporangium production, zoospore release, and cystospore germination with

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528770730

Sorrisos canónicos

CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC(=NC=C3)Cl

IUPAC Name

(Z)-3-(4-tert-butylphenyl)-3-(2-chloropyridin-4-yl)-1-morpholin-4-ylprop-2-en-1-one

InChIKey

QEUOHPLVFSQWME-CYVLTUHYSA-N

INCHI

1S/C22H25ClN2O2/c1-22(2,3)18-6-4-16(5-7-18)19(17-8-9-24-20(23)14-17)15-21(26)25-10-12-27-13-11-25/h4-9,14-15H,10-13H2,1-3H3/b19-15-

SMILES isoméricas

CC(C)(C)C1=CC=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC(=NC=C3)Cl

PubChem CID

46220487

Peso molecular

384.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Phenylpropanes Styrenes 2-halopyridines Morpholines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid or derivatives - Phenylpropane - Styrene - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• External Descriptors: Not available

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

Alvos associados (não humanos)

Phytophthora capsici (336 Activities)

Explore this target

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

Rhizoctonia solani (2251 Activities)

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

Sclerotinia sclerotiorum (877 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMF: 1 mg/ml；PBS (pH 7.2): 0.20 mg/ml
• Peso molecular: 384.900 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 384.16 Da
• Monoisotopic Mass: 384.16 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1