Cholesterol - ≥99% , CAS No.57-88-5

CAS: 57-88-5 Cat. No.: C104032 Fórmula: C₂₇H₄₆O Peso molecular: 386.65 Beilstein Registry Number: 1915888 Número CE: 200-353-2

GRAU & PUREZA ≥99%

Synonyms

3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Cholesterol,(S) | 20-epi-cholesterol | AI3-03112 | 3beta-cholest-5-en-3-ol | 5-Cholesten-3ss--ol | 5:6-Cholesten-3-ol | Lidinit | 3.beta.-Hydr

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Cholesterol,(S) | 20-epi-cholesterol | AI3-03112 | 3beta-cholest-5-en-3-ol | 5-Cholesten-3ss--ol | 5:6-Cholesten-3-ol | Lidinit | 3.beta.-Hydr

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508816266

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816266

Sorrisos canónicos

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC Name

(3S,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]phenanthren-3-ol

InChIKey

HVYWMOMLDIMFJA-DPAQBDIFSA-N

INCHI

1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,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]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

WGK Alemanha

1

RTECS

FZ8400000

Peso molecular

386.65

Beilstein

1915888

Reaxy-Rn

2060565

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060565&ln=

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: 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-skeleton - Cholesterol - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic 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)

CYP46A1 Tchem Cholesterol 24-hydroxylase (2 Activities)

Discover Target: CYP46A1

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

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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CYP11A1 Tclin Cytochrome P450 11A1 (1 Activities)

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POLA1 Tclin DNA polymerase alpha subunit (225 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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

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POLB Tchem DNA polymerase beta (23632 Activities)

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NR1H3 Tchem LXR-alpha (2891 Activities)

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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SH-SY5Y (11521 Activities)

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SW480 (6023 Activities)

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U-937 (7138 Activities)

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A549 (127892 Activities)

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BJ (6930 Activities)

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T47D (39041 Activities)

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NCI-H69 (709 Activities)

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HCT-116 (91556 Activities)

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KB (17409 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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SMMC-7721 (5516 Activities)

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ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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SULT2B1 Tbio Sulfotransferase family cytosolic 2B member 1 (4 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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

CYP46A1 Tchem Cholesterol 24-hydroxylase (289 Activities)

Discover Target: CYP46A1

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Alvos associados (não humanos)

ERG11 Cytochrome P450 51 (617 Activities)

Discover Target: ERG11

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Top2 DNA topoisomerase II (15 Activities)

Discover Target: Top2

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Salmonella typhimurium (15756 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Bacillus sp. (164 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Cutibacterium acnes (887 Activities)

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Rattus norvegicus (775804 Activities)

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P19 (309 Activities)

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Vero (26788 Activities)

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C2C12 (756 Activities)

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cyp125 Putative cytochrome P450 125 (56 Activities)

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env Envelope glycoprotein (1 Activities)

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Phytophthora cactorum (113 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Brucella pseudogrignonensis (43 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)

Discover Target: Scn2a

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Rotação específica [α]: -37 ° (C=2, Dioxane)
• Ponto de ebulição (°C): 360°C
• Ponto de fusão (°C): 148.5°C
• Peso molecular: 386.700 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 386.355 Da
• Monoisotopic Mass: 386.355 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 591.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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