Squalene - Moligand™, 10mM in DMSO , CAS No.111-02-4

CAS: 111-02-4 Cat. No.: S420614 Fórmula: C₃₀H₅₀ Peso molecular: 410.72 Beilstein Registry Number: 1728919 Número CE: 203-826-1 PubChem CID: 638072

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)- | CAS-111-02-4 | Squalene 100 microg/mL in Hexane | SR-01000944749-1 | 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)- | E80634 | HY-N1214

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

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

Specifications

Sinónimos

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)- | CAS-111-02-4 | Squalene 100 microg/mL in Hexane | SR-01000944749-1 | 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)- | E80634 | HY-N1214

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

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.

Grau

Moligand™

Nomes e identificadores

Pubchem Sid

528775696

Sorrisos canónicos

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+

SMILES isoméricas

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

WGK Alemanha

2

RTECS

XB6010000

PubChem CID

638072

Peso molecular

410.72

Beilstein

1728919

Reaxy-Rn

1728920

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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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Alvos associados (não humanos)

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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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive;light sensitive
• Índice de refração: 1.4965
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 200℃
• Ponto de ebulição (°C): 252 °C
• Ponto de fusão (°C): -75°C
• Peso molecular: 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