2-Ethylhexyl 4-Methoxycinnamate - 10mM in DMSO , CAS No.5466-77-3

CAS: 5466-77-3 Cat. No.: E424656 Summenformel: C₁₈H₂₆O₃ Molekulargewicht: 290.4 Beilstein Registry Number: 5946630 EG-Nummer: 226-775-7

GRADE & PURITY 10mM in DMSO

Synonyms

Octinoxate|5466-77-3|83834-59-7|2-Ethylhexyl 4-methoxycinnamate|Parsol MCX|Parsol MOX|Parsol|2-Ethylhexyl-p-methoxycinnamate|2-Ethylhexyl p-methoxycinnamate|4-Methoxycinnamic Acid 2-Ethylhexyl Ester|Octyl methoxycinnamate|Escalol 557|2-Ethylhexyl trans-4-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

OMC can prevent the formation of UV induced cyclobutane pyrimidine dimer (CDP) by filtering UVB

Specifications

Synonyme

Octinoxate | 5466-77-3 | 83834-59-7 | 2-Ethylhexyl 4-methoxycinnamate | Parsol MCX | Parsol MOX | Parsol | 2-Ethylhexyl-p-methoxycinnamate | 2-Ethylhexyl p-methoxycinnamate | 4-Methoxycinnamic Acid 2-Ethylhexyl Ester | Octyl methoxycinnamate | Escalol 557 | 2-Ethylhexyl trans-4-

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528760829

Kanonisches Lächeln

CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC

IUPAC Name

2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate

InChIKey

YBGZDTIWKVFICR-JLHYYAGUSA-N

INCHI

1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

Isomere SMILES

CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC

RTECS

UD3392732

Molekulargewicht

290.4

Beilstein

5946630

Reaxy-Rn

5946632

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5946632&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• 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

Zugehörige Ziele (menschlich)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.55
• Flammpunkt (°F): 379.4 °F
• Flammpunkt (°C): 193°C(lit.)
• Molekulargewicht: 290.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 290.188 Da
• Monoisotopic Mass: 290.188 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1