2-methoxycinnamaldehyde - 10mM in DMSO , CAS No.1504-74-1

CAS: 1504-74-1 Cat. No.: M580277 Formule: C₁₀H₁₀O₂ Poids moléculaire: 162.19 Numéro CE: 216-131-3

GRADE & PURITY 10mM in DMSO

Synonyms

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

2-methoxycinnamaldehyde (O-methoxycinnamaldehyde), found in ceylan cinnamon, is a flavouring ingredient.

Specifications

Synonymes

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

2-Methoxycinnamaldehyde (o-Methoxycinnamaldehyde) is a natural compound of Cinnamomum cassia, with antitumor activity. 2-Methoxycinnamaldehyde inhibits proliferation and induces apoptosis by mitochondrial membrane potential (ΔΨm) loss, activation of both

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

ACTIVATOR

Noms et identifiants

• Pubchem Sid: 528757442
• Sourires canoniques: COC1=CC=CC=C1C=CC=O
• IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enal
• InChIKey: KKVZAVRSVHUSPL-GQCTYLIASA-N
• INCHI: 1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
• Isomères SMILES: COC1=CC=CC=C1/C=C/C=O
• Poids moléculaire: 162.19
• Reaxy-Rn: 2436856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436856&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 160-161 °C/12 mmHg (lit.)
• Point de fusion (°C): 44.0-49.0 °C (lit.)
• Poids moléculaire: 162.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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

Références

1. Zhenhao Li, Shun Xiao, Ni Ai, Kedi Luo, Xiaohui Fan, Yiyu Cheng.  (2014)  Derivative multiple reaction monitoring and single herb calibration approach for multiple components quantification of traditional Chinese medicine analogous formulae.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25541090] [10.1016/j.chroma.2014.12.024]