Cholesterol 5α,6α-epoxide - ≥95% , CAS No.1250-95-9

CAS: 1250-95-9 Cat. No.: C486589 Fórmula: C₂₇H₄₆O₂ Peso molecular: 402.65 Número CE: 215-007-6 PubChem CID: 227037

GRADE & PURITY ≥95%

Synonyms

5,6alpha-epoxy-cholesterol | UNII-3UQ9PF5XBD | Cholestan-3.beta.-ol,6.alpha.-epoxy- | NSC 18176 | 5.alpha.-Cholestan-3.beta.-ol,6.alpha.-epoxy- | Cholesterol oxide | M1210 | 5.alpha.,6.alpha.-Epoxycholestanol | A-epoxide | Cholesterol 5-alpha,6-alpha-epox

Storage

Room temperature

Shipped In

Normal

Visão geral

Description

Cholesterol 5α, 6α-epoxide was incorporated in culture medium of human arterial endothelial cells to study oxysterol-induced toxicity.

Specifications

Sinónimos

5,6alpha-epoxy-cholesterol | UNII-3UQ9PF5XBD | Cholestan-3.beta.-ol,6.alpha.-epoxy- | NSC 18176 | 5.alpha.-Cholestan-3.beta.-ol,6.alpha.-epoxy- | Cholesterol oxide | M1210 | 5.alpha.,6.alpha.-Epoxycholestanol | A-epoxide | Cholesterol 5-alpha,6-alpha-epox

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Cholesterol 5α, 6α-epoxide is an oxysterol, a cholesterol derivative by auto-oxidation. Oxysterols are non-genomic regulators of cholesterol homeostasis. The biological effects include protein prenylation, apoptosis, modulation of sphingolipid metabolism

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504757958

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757958

Sorrisos canónicos

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)O)C)O4)C

IUPAC Name

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

InChIKey

PRYIJAGAEJZDBO-ZEQHCUNVSA-N

INCHI

1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1

SMILES isoméricas

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C

PubChem CID

227037

Peso molecular

402.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Cholestane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesterols and derivatives
• Alternative Parents: 5,6-epoxysteroids Oxepanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cholesterol - 5,6-epoxysteroid - Oxepane - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
• External Descriptors: Cholesterol and derivatives

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)

Homo sapiens (32628 Activities)

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HT-29 (80576 Activities)

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Alvos associados (não humanos)

P19 (309 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 402.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 402.35 Da
• Monoisotopic Mass: 402.35 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 630.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1250-95-9, the molecular formula is C27H46O2, and the molecular weight is 402.65 g/mol. InChIKey PRYIJAGAEJZDBO-ZEQHCUNVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.