J-147 - 10mM in DMSO , CAS No.1146963-51-0

CAS: 1146963-51-0 Cat. No.: J420717 Molecular Weight: 350.33

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Potent neurogenic and neuroprotective curcumin derivative. Ameliorates diabetic peripheral neuropathy in animal models.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: 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+
• Isomeric SMILES: CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

Liver microsomes (16955 Activities)

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Associated Targets(non-human)

HT-22 (3261 Activities)

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Blood (6 Activities)

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Plasma (328 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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

References

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]