trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde - Moligand™, ≥98% , CAS No.4206-58-0

CAS: 4206-58-0 Cat. No.: I170272 Formule: HOC₆H₂(OCH₃)₂CH=CHCHO Poids moléculaire: 208.21 Numéro CE: 627-731-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

bmse010085 | Sinapinaldehyde | ACon1_001103 | MFCD00075980 | 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | SCHEMBL197270 | 3,4-dimethoxy-4-hydroxycinnamaldehyde | AKOS015999009 | 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)- | (E)-sinapoyl aldehy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Sinapaldehyde is a methoxyphenol and a selective COX-2 inhibitor (IC50: 47.8 µM) that can be extracted from various plants. Sinapaldehyde has antibacterial, anti-inflammatory, and antioxidant activities. Sinapaldehyde can scavenge DPPH free radicals (IC50: 172 μM). Sinapaldehyde is active against both Gram-negative and Gram-positive bacteria.

Specifications

Synonymes

bmse010085 | Sinapinaldehyde | ACon1_001103 | MFCD00075980 | 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | SCHEMBL197270 | 3,4-dimethoxy-4-hydroxycinnamaldehyde | AKOS015999009 | 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)- | (E)-sinapoyl aldehy

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504763313

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763313

Sourires canoniques

COC1=CC(=CC(=C1O)OC)C=CC=O

IUPAC Name

(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

InChIKey

CDICDSOGTRCHMG-ONEGZZNKSA-N

INCHI

1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+

Isomères SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C=O

WGK Allemagne

3

Poids moléculaire

208.21

Reaxy-Rn

2215798

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Cinnamaldehydes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Methoxybenzene - Anisole - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Ether - Aldehyde - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Sinapate derivatives

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

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SK-MEL-28 (48833 Activities)

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Cibles associées (non humaines)

L1210 (27553 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 104-106 °C
• Poids moléculaire: 208.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.074 Da
• Monoisotopic Mass: 208.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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