Withanolide A - ≥98%, used for Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. Withanolide A may be used as an analytical standard for the determination

CAS: 32911-62-9 Cat. No.: W350943 Fórmula: C₂₈H₃₈O₆ Peso molecular: 470.6 PubChem CID: 11294368

GRADE & PURITY ≥98%

Synonyms

Withanolide A, (+)- | Q27291676 | (5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,20-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE | withanolide A | WITHANOLIDE A(P) | E87198 | WITHANOLIDE A [USP-RS] | HY-N7028 | UNII-V903234S8G | 15-[1-(4,5-Dimethyl-6-oxo-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Withanolide A, (+)- | Q27291676 | (5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,20-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE | withanolide A | WITHANOLIDE A(P) | E87198 | WITHANOLIDE A [USP-RS] | HY-N7028 | UNII-V903234S8G | 15-[1-(4,5-Dimethyl-6-oxo-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

C28-steroidal lactone that can induce nerve development and improve nervous system function. Potential therapeutic for neurologic disorders like Alzheimer′s and Parkinson′s disease. In primary rat cortical neurons, withanolide A significantly up-regulated

Aplicação

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. Withanolide A may be used as an analytical standard for the determination of withanolide A in: Mentat ta

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.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528773960
• Sorrisos canónicos: CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C
• IUPAC Name: (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
• InChIKey: DXWHOKCXBGLTMQ-SFQAJKIESA-N
• INCHI: 1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
• SMILES isoméricas: CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C
• PubChem CID: 11294368
• Peso molecular: 470.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Withanolides and derivatives
• Alternative Parents: Oxepanes Dihydropyranones Cyclohexenones Tertiary alcohols Enoate esters Lactones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Withanolide-skeleton - Cyclohexenone - Dihydropyranone - Oxepane - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.
• External Descriptors: Not available

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)

Discover Target: NR3C2

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

SH-SY5Y (11521 Activities)

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SK-MEL-2 (46422 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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HCT-15 (51914 Activities)

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Alvos associados (não humanos)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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

Ikbkb Inhibitor of nuclear factor kappa-B kinase subunit beta (81 Activities)

Discover Target: Ikbkb

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 470.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 470.267 Da
• Monoisotopic Mass: 470.267 Da
• Topological Polar Surface Area: 96.400 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 1030.000
• 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