Hydroxyecdysone - analytical standard, ≥95%(HPLC) , CAS No.5289-74-7

CAS: 5289-74-7 Cat. No.: H108843 Fórmula: C₂₇H₄₄O₇ Peso molecular: 480.63 Beilstein Registry Number: 1917578 Número CE: 811-097-1

GRAU & PUREZA Analytical standard, ≥95%(HPLC)

Synonyms

HB3718 | BDBM50326777 | LMST01010209 | THE-7 | HY-N6979 | beta-Ecdysone | MLS002207226 | 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-hexahydroxy-, (22R)- | 779A7KPL0Y | Bio 101 | HMS2230L09 | s2417 | SCHEMBL22086 | 20-HYDROXYECDYSONE [WHO-DD] | B

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

HB3718 | BDBM50326777 | LMST01010209 | THE-7 | HY-N6979 | beta-Ecdysone | MLS002207226 | 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-hexahydroxy-, (22R)- | 779A7KPL0Y | Bio 101 | HMS2230L09 | s2417 | SCHEMBL22086 | 20-HYDROXYECDYSONE [WHO-DD] | B

Especificações e pureza

analytical standard, ≥95%(HPLC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Grau

Padrão analítico

Pureza

≥95%(HPLC)

Nomes e identificadores

Pubchem Sid

528775618

Sorrisos canónicos

CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O

IUPAC Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

InChIKey

NKDFYOWSKOHCCO-YPVLXUMRSA-N

INCHI

1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

SMILES isoméricas

C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

WGK Alemanha

2

Peso molecular

480.63

Beilstein

1917578

Reaxy-Rn

2229591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2229591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy bile acids, alcohols and derivatives
• Alternative Parents: Cholesterols and derivatives Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hexahydroxy bile acid, alcohol, or derivatives - Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Ecdysteroid - 25-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 2-hydroxysteroid - 3-beta-hydroxysteroid - Oxosteroid - 6-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 14-hydroxysteroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
• 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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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CCRF-CEM (65223 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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GMNN Tbio Geminin (128009 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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Alvos associados (não humanos)

EcR Ecdysone receptor (102 Activities)

Discover Target: EcR

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Abcb1b P-glycoprotein 1 (174 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Acyrthosiphon pisum (40 Activities)

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C2C12 (756 Activities)

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BCHE Cholinesterase (8742 Activities)

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Akt1 RAC-alpha serine/threonine-protein kinase (147 Activities)

Discover Target: Akt1

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dengue virus type 2 (2400 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 244°C - 248°C
• Peso molecular: 480.600 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.309 Da
• Monoisotopic Mass: 480.309 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 869.000
• 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