(20S)-Protopanaxatriol - ≥98% , CAS No.34080-08-5

CAS: 34080-08-5 Cat. No.: S303478 Peso molecular: 476.73

GRADE & PURITY ≥98%

Synonyms

CHEBI:75951 | protopanaxatriol-type ginsenoside aglycone | Protopanaxatriol | 3-Deoxy-3-oxo-20(S)-protopanaxatriol; 3-Keto-20(S)-protopanaxatriol | AC-33941 | Q27896342 | Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta)- | PANAXOSIDE A AGLYCONE A.PHI

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CHEBI:75951 | protopanaxatriol-type ginsenoside aglycone | Protopanaxatriol | 3-Deoxy-3-oxo-20(S)-protopanaxatriol; 3-Keto-20(S)-protopanaxatriol | AC-33941 | Q27896342 | Dammar-24-ene-3, 6, 12, 20-tetrol, (3beta, 6alpha, 12beta)- | PANAXOSIDE A AGLYCONE A.PHI

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ginsenoside Rg1 , Re, Rf and Rg2 analog. Increases intracellular Ca 2+ levels. Induces eNOS activation and NO production. Functional GR and ERβ receptor ligand. Active in vivo.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766457
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766457
• Sonrisas canónicas: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C
• IUPAC Name: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
• InChIKey: SHCBCKBYTHZQGZ-CJPZEJHVSA-N
• INCHI: 1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
• Isómeros SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C
• Peso molecular: 476.73
• Reaxy-Rn: 48405371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48405371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 6-hydroxysteroids 3-beta-hydroxysteroids 14-alpha-methylsteroids 12-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 20-hydroxysteroid - 3-hydroxysteroid - 12-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - Steroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: 3beta-hydroxy steroid - 6alpha-hydroxy steroid - tetracyclic triterpenoid - sapogenin - 12beta-hydroxy steroid

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

Objetivos asociados (humanos)

CKM Tbio Creatine kinase M (67 Activities)

Discover Target: CKM

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BGC-823 (3035 Activities)

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HL-60 (67320 Activities)

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HepG2 (196354 Activities)

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HUVEC (11049 Activities)

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MDA-MB-231 (73002 Activities)

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SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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LLC-PK1 (2135 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

CKM Creatine kinase M-type (22 Activities)

Discover Target: CKM

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 476.700 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 476.387 Da
• Monoisotopic Mass: 476.387 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 817.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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