J-147 - ≥98% , CAS No.1146963-51-0

CAS: 1146963-51-0 Cat. No.: J302241 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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Referencias

1. Lv Jinpeng, Yang Ying, Jia Bingyi, Li Siqi, Zhang Ximei, Gao Rongyin.  (2021)  The Inhibitory Effect of Curcumin Derivative J147 on Melanogenesis and Melanosome Transport by Facilitating ERK-Mediated MITF Degradation.  Frontiers in Pharmacology,      [PMID:34887767] [10.3389/fphar.2021.783730]