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

CAS: 5589-41-3 Cat. No.: D651910 分子式: C₂₈H₄₀O₆ 分子量: 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

概要

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

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO
• 代替CAS番号: 5589-41-3
• PubChem CID: 418033
• NSC番号: 97867
• 分子量: 472.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

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