7β-Hydroxycholesterol - Moligand™, ≥99% , Agonist of GPR183, CAS No.566-27-8, Agonist of GPR183

CAS: 566-27-8 Cat. No.: C130187 分子式: C₂₇H₄₆O₂ 分子量: 402.653

GRADE & PURITY Moligand™, ≥99%

Synonyms

.DELTA.5-CHOLESTENE-3.BETA.,7.BETA.-DIOL | 7-HYDROXYCHOLESTEROL, (7.BETA.)- | UNII-N9616291J4 | LMST01010047 | CHOLEST-5-ENE-3,7-DIOL, (3.BETA.,7.BETA.)- | DB04706 | 7?-Hydroxy Cholesterol | 7-beta-OHC | CHEBI:42989 | Cholest-5-ene-3,7-diol, (3.beta.,7.be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

7β-Hydroxy Cholesterol is a metabolite of Cholesterol. Its membrane organizing properties may have implications in Altzheimer’s disease.
It was used to study oxysterol-induced apoptosis in human endothelial cells

Specifications

同義語

.DELTA.5-CHOLESTENE-3.BETA.,7.BETA.-DIOL | 7-HYDROXYCHOLESTEROL, (7.BETA.)- | UNII-N9616291J4 | LMST01010047 | CHOLEST-5-ENE-3,7-DIOL, (3.BETA.,7.BETA.)- | DB04706 | 7?-Hydroxy Cholesterol | 7-beta-OHC | CHEBI:42989 | Cholest-5-ene-3,7-diol, (3.beta.,7.be

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

7β-Hydroxycholesterol is an oxysterol, the enzymatic or non-enzymatic product of cholesterol oxidation. Oxysterols are cytotoxic and induce death in monocytes, smooth muscle cells and endothelial cells. The mechanism of apoptosis induced by oxysterols may

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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™

アクションタイプ

AGONIST

作用メカニズム

Agonist of GPR183

純度

≥99%

名前と識別子

パブケム・シド

528762814

カノニカル・スマイル

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C

IUPAC Name

(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

InChIKey

OYXZMSRRJOYLLO-KGZHIOMZSA-N

INCHI

1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1

異性体SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C

WGKドイツ

3

分子量

402.653

Reaxy-Rn

2062322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062322&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesterols and derivatives
• Alternative Parents: 7-alpha-hydroxysteroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesterol - Cholesterol-skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• 説明: 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

関連ターゲット（人間）

RORC Tchem Nuclear receptor ROR-gamma (1 Activities)

Discover Target: RORC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RORA Tchem Nuclear receptor ROR-alpha (1 Activities)

Discover Target: RORA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GPR183 Tchem G-protein coupled receptor 183 (1 Activities)

Discover Target: GPR183

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NPC1L1 Tclin Niemann-Pick C1-like protein 1 (346 Activities)

Discover Target: NPC1L1

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

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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SH-SY5Y (11521 Activities)

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A549 (127892 Activities)

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BJ (6930 Activities)

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HepG2 (196354 Activities)

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

RORA Tchem Nuclear receptor ROR-alpha (562 Activities)

Discover Target: RORA

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

関連ターゲット（非人間）

C6 (2371 Activities)

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Chloroform and Methanol
• 感度: Moisture sensitive
• 分子量: 402.700 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 402.35 Da
• Monoisotopic Mass: 402.35 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 624.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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