N-trans-feruloylmethoxytyramine - Moligand™, ≥98% , CAS No.78510-19-7

CAS: 78510-19-7 Cat. No.: N692619 Peso molecular: 343.37

GRADE & PURITY Moligand™, ≥98%

Synonyms

(E)-N-(4-Hydroxy-3-methoxyphenethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

N-trans-Feruloyl-3-methyldopamine (compound 4) is an anticancer compound isolated from Alternanthera philoxeroides. It exhibits cytotoxicity against HeLa cells, with an inhibition rate of 72.2% at 30 μg/mL.

Specifications

Sinónimos

(E)-N-(4-Hydroxy-3-methoxyphenethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Propiedades del producto

• ALogP: 2.1

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O
• IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
• InChIKey: GRXBVKANHNUZNL-VMPITWQZSA-N
• INCHI: 1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
• Isómeros SMILES: COC1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
• Peso molecular: 343.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycinnamic acids and derivatives
• Alternative Parents: Cinnamic acid amides Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
• External Descriptors: hydroxycinnamic acid

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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

WI-38 (2654 Activities)

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WI-38 VA13 (346 Activities)

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HepG2 (196354 Activities)

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Objetivos asociados (no humanos)

Mycobacterium tuberculosis (203094 Activities)

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RAW264.7 (28094 Activities)

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BV-2 (3710 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 343.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 343.142 Da
• Monoisotopic Mass: 343.142 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 442.000
• 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