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

CAS: 111-02-4 Cat. No.: S109119 분자식: C₃₀H₅₀ 분자량: 410.72 Beilstein Registry Number: 1728919 EC 번호: 203-826-1 PubChem CID: 638072

등급 & 순도 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

개요

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

사양

동의어

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 Show more

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

Moligand™

순수함

≥98%

이름과 식별자

Pubchem Sid

504759650

Pubchem Sid Url

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

정식 스마일

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+

이성체 SMILES

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

WGK 독일

2

RTECS

XB6010000

PubChem CID

638072

분자량

410.72

Beilstein

1728919

Reaxy-Rn

1728920

Taxonomic Classification

Taxonomy Tree

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

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

관련 대상(인간)

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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관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with diethyl ether and acetone. Immiscible with water.
• 감도: air sensitive;light sensitive
• 굴절률: 1.4965
• 발화점(°F): 230 °F
• 발화점(°C): 200℃
• 끓는점(°C): 252 °C
• 녹는점(°C): -75°C
• 분자량: 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