β-Elemene - Moligand™, ≥98% , CAS No.515-13-9

CAS: 515-13-9 Cat. No.: E303852 분자식: C₁₅H₂₄ 분자량: 204.35

등급 & 순도 Moligand™, ≥98%

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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

Moligand™

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

Pubchem Sid

504764365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764365

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

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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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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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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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 발화점(°C): 98 °C
• 분자량: 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