Squalene - Moligand™, ≥98% , CAS No.111-02-4

CAS: 111-02-4 Cat. No.: S109119 分子式: C₃₀H₅₀ 分子量: 410.72 Beilstein Registry Number: 1728919 EC番号: 203-826-1 PubChem CID: 638072

グレード＆純度 Moligand™, ≥98%

Synonyms

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-|squalcnc|(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene|MF59 COMPONENT SQUALENE|Spinacen|trans-Spinacene|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene|2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene|starbld0009755|Supraene|Squalene, Spinacene, Supraene|Squalene, all-trans-|Squalen|trans-Squalene|MF59|2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene|SQUALENE [MI]|(E)-Squalene|MONTANIDE ISA 720 COMPONENT SQUALENE|SQUALENE [WHO-DD]|(2E,6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene|(E,E,E,E)-Squalene|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-|Super Squalene|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene, (all-E)-|Spinacene|(All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene|SQUALENE (EP MONOGRAPH)|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetra cosahexaene|AddaVax|All-trans-Squalene|SQUALENE [INCI]|Super Squalene; trans-Squalene;AddaVax

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Squalene is a biosynthetic precursor for all steroids that is cytoprotective to normal cells exposed to carcinogens and antitumor agents
Biosynthetic precursor to all steroids. Cytoprotective to normal cells exposed to carcinogens and antitumor agents

仕様

同義語

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)- | 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)- | squalcnc | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene | MF59 COMPONENT SQUALENE | Spinacen | trans-Spinacene | 2,6,10,15,19,23-Hexamethyl もっと見る

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Squalene is a biosynthetic precursor to all steroids. It acts as a cytoprotective agent to normal cells exposed to carcinogens and antitumor agents. Squalene helps in equalizing the blood cholesterol levels. It increases the production of HDL (high densit

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

パブケム・シド

504759650

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504759650

カノニカル・スマイル

CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

IUPAC Name

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

InChIKey

YYGNTYWPHWGJRM-AAJYLUCBSA-N

INCHI

1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

異性体SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C

WGKドイツ

2

RTECS

XB6010000

PubChem CID

638072

分子量

410.72

Beilstein

1728919

Reaxy-Rn

1728920

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefins
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triterpenoid - Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Acyclic triterpenoids

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

関連ターゲット（人間）

MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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関連ターゲット（非人間）

ERG1 Squalene monooxygenase (20 Activities)

Discover Target: ERG1

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

Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Entamoeba histolytica (2676 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with diethyl ether and acetone. Immiscible with water.
• 感度: air sensitive;light sensitive
• 屈折率: 1.4965
• 引火点（°F）: 230 °F
• 引火点（°C）: 200℃
• 沸点（°C）: 252 °C
• 融点（°C）: -75°C
• 分子量: 410.700 g/mol
• XLogP3: 11.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 410.391 Da
• Monoisotopic Mass: 410.391 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 578.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1