Dihydrowithaferin A - ≥99% , CAS No.5589-41-3

CAS: 5589-41-3 Cat. No.: D651910 Peso molecular: 472.61 PubChem CID: 418033

GRADE & PURITY ≥99%

Synonyms

DTXSID10329178 | NSC328417 | NSC-328417 | NSC97867 | NSC-97867 | DihydrowithaferinA | FT-0775740 | 2,3-Dihydrowithaferin-A | 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,1

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Dihydrowithaferin A (2, 3-dihydrowithaferin A) is a withanolide isolated from Withania somnifera . Dihydrowithaferin A is active against acetylcholinesterase (AChE)

Form:Solid

IC50& Target:AChE

Specifications

Sinónimos

DTXSID10329178 | NSC328417 | NSC-328417 | NSC97867 | NSC-97867 | DihydrowithaferinA | FT-0775740 | 2, 3-Dihydrowithaferin-A | 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2, 3-dihydropyran-2-yl]ethyl]-2, 16-dimethyl-8-oxapentacyclo[9.7.0.02, 7.07, 9.012, 1

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Dihydrowithaferin A (2, 3-dihydrowithaferin A) is a withanolide isolated from Withania somnifera . Dihydrowithaferin A is active against acetylcholinesterase (AChE).

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO
• IUPAC Name: 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
• InChIKey: YRXCLNDPESBJHL-UHFFFAOYSA-N
• INCHI: 1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3
• Isómeros SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO
• CAS alternativo: 5589-41-3
• PubChem CID: 418033
• Número NSC: 97867
• Peso molecular: 472.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Withanolides and derivatives
• Alternative Parents: 5,6-epoxysteroids Oxepanes Dihydropyranones Enoate esters Secondary alcohols Lactones Ketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Withanolide-skeleton - 5,6-epoxysteroid - Dihydropyranone - Oxepane - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - 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 - Primary alcohol - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 50 mg/mL (105.80 mM; Need ultrasonic)