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

CAS: 566-27-8 Cat. No.: C130187 분자식: C₂₇H₄₆O₂ 분자량: 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

개요

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

동의어

.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

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of GPR183

순수함

≥99%

이름과 식별자

Pubchem Sid

528762814

정식 스마일

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

이성체 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 독일

3

분자량

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
    • 분류 Steroids and steroid derivatives
      • Subclass Cholestane steroids

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

관련 대상(인간)

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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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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform and Methanol
• 감도: Moisture sensitive
• 분자량: 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