β-Elemene - 10mM in DMSO , CAS No.515-13-9

CAS: 515-13-9 Cat. No.: E424425 Fórmula: C₁₅H₂₄ Peso molecular: 204.35

GRAU & PUREZA 10mM in DMSO

Synonyms

beta-Elemen | BETA-ELEMENE | SCHEMBL236095 | E- .beta.-Elemene | (-)-.beta.-Elemene | (1S,2S,4R)-beta-elemene | EINECS 251-713-0 | (-)-b-Elemene | 3-(2-chloroethyl)-2-oxazolidone | ELEMENE, (-)-.BETA.- | (1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylc

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificações

Sinónimos

beta-Elemen | BETA-ELEMENE | SCHEMBL236095 | E- .beta.-Elemene | (-)-.beta.-Elemene | (1S,2S,4R)-beta-elemene | EINECS 251-713-0 | (-)-b-Elemene | 3-(2-chloroethyl)-2-oxazolidone | ELEMENE, (-)-.BETA.- | (1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylc

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Anticancer agent. Induces G 2 M cell cycle arrest and apoptosis. Induces caspase-3, -7 and -9 activities. Decreases Bcl-2 expression. Induces mitochondrial release of cytochrome c. Inhibits microtubule polymerization.

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528768830

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768830

Sorrisos canónicos

CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C

IUPAC Name

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

InChIKey

OPFTUNCRGUEPRZ-QLFBSQMISA-N

INCHI

1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1

SMILES isoméricas

CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C

Peso molecular

204.35

Reaxy-Rn

1864409

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Elemane sesquiterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Elemane sesquiterpenoid - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.
• External Descriptors: beta-elemene

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

Alvos associados (humanos)

PC-3 (62116 Activities)

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SGC-7901 (2773 Activities)

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U-251 (51189 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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HUVEC (11049 Activities)

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HeLa (62764 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Mus musculus (284745 Activities)

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H22 (575 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Ponto de inflamação (°C): 98 °C
• Peso molecular: 204.350 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1