J-147 - ≥98% , CAS No.1146963-51-0

CAS: 1146963-51-0 Cat. No.: J302241 Fórmula: C₁₈H₁₇F₃N₂O₂ Peso molecular: 350.33

GRADE & PURITY ≥98%

Synonyms

SCHEMBL12995834 | UNII-Z41H3C5BT9 | CAS-75-97-8 | 1807913-16-1 | N-(2,4-dimethylphenyl)-2,2,2-triluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide | 2,2,2-Trifluoroacetic acid 1-(2,4-Dimethylphenyl)-2-[(3-methoxyphenyl)methylene]hydrazide | HYMZAYG

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

SCHEMBL12995834 | UNII-Z41H3C5BT9 | CAS-75-97-8 | 1807913-16-1 | N-(2,4-dimethylphenyl)-2,2,2-triluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide | 2,2,2-Trifluoroacetic acid 1-(2,4-Dimethylphenyl)-2-[(3-methoxyphenyl)methylene]hydrazide | HYMZAYG

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Potente derivado neurogénico y neuroprotector de la curcumina. Mejora la neuropatía diabética periférica en modelos animales.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Nota

Consulte la SDS para obtener más información ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504770030

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770030

Sonrisas canónicas

CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)N=CC2=CC(=CC=C2)OC)C

IUPAC Name

N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide

InChIKey

HYMZAYGFKNNHDN-SSDVNMTOSA-N

INCHI

1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+

Isómeros SMILES

CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C

Peso molecular

350.33

Reaxy-Rn

19179256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19179256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: m-Xylenes Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Phenoxy compound - Anisole - M-xylene - Xylene - Methoxybenzene - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Objetivos asociados (humanos)

Liver microsomes (16955 Activities)

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Objetivos asociados (no humanos)

HT-22 (3261 Activities)

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Blood (6 Activities)

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Plasma (328 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: insoluble in H2O; ≥16.65 mg/mL in DMSO; ≥56.8 mg/mL in EtOH
• Peso molecular: 350.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 350.124 Da
• Monoisotopic Mass: 350.124 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 481.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1146963-51-0, the molecular formula is C18H17F3N2O2, and the molecular weight is 350.33 g/mol. InChIKey HYMZAYGFKNNHDN-SSDVNMTOSA-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.