27-TBDMS-4-Dehydrowithaferin A , CAS No.1214886-31-3

CAS: 1214886-31-3 Cat. No.: T1416283 PubChem CID: 66572431

Storage

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Shipped In

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Overview

27-TBDMS-4-Dehydrowithaferin A, a withaferin A derivative, exhibits potent antiproliferative effects on the tumor cells.27-TBDMS-4-Dehydrowithaferin A induces tumor cells apoptosis. 27-TBDMS-4-Dehydrowithaferin A is a anticancer agent.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6=O)C)O5)C)CO[Si](C)(C)C(C)(C)C
• IUPAC Name: (1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione
• InChIKey: RZWFBNOFUAHADD-VTYRCZOESA-N
• INCHI: 1S/C34H50O6Si/c1-19-16-26(39-30(37)22(19)18-38-41(8,9)31(3,4)5)20(2)23-10-11-24-21-17-29-34(40-29)28(36)13-12-27(35)33(34,7)25(21)14-15-32(23,24)6/h12-13,20-21,23-26,29H,10-11,14-18H2,1-9H3/t20-,21-,23+,24-,25-,26+,29+,32+,33-,34+/m0/s1
• Isomeric SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6=O)C)O5)C)CO[Si](C)(C)C(C)(C)C
• PubChem CID: 66572431

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Withanolides and derivatives
• Alternative Parents: 5,6-epoxysteroids Oxepanes Dihydropyranones Cyclohexenones Trialkylheterosilanes Enoate esters Silyl ethers Lactones Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Withanolide-skeleton - 5,6-epoxysteroid - Dihydropyranone - Cyclohexenone - Oxepane - Pyran - Trialkylheterosilane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Silyl ether - Carboxylic acid derivative - Dialkyl ether - Organoheterosilane - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organic metalloid moeity - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organosilicon compound - Aliphatic heteropolycyclic compound
• Description: 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