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

CAS: 4206-58-0 Cat. No.: I170272 Summenformel: HOC₆H₂(OCH₃)₂CH=CHCHO Molekulargewicht: 208.21 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504763313
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763313
• Kanonisches Lächeln: 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+
• Isomere SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C=O
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

LoVo (4724 Activities)

Explore this target

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

PC-3 (62116 Activities)

Explore this target

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

SK-MEL-28 (48833 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

L1210 (27553 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 104-106 °C
• Molekulargewicht: 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