Kansuinine A - ≥99% , CAS No.57701-86-7

CAS: 57701-86-7 Cat. No.: K646589 Molecular Weight: 730.75 PubChem CID: 171606

GRADE & PURITY ≥99%

Synonyms

Kansuinin A | 1,3a,9,11,13-Pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl benzoate | DTXSID30973298 | [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-Pentaacetyloxy-1-hydroxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Kansuinine A inhibits IL-6-induced Stat3 activation. Kansuinine A possesses antiviral and anticancer activity.

Form:Solid

Specifications

Synonyms

Kansuinin A | 1, 3a, 9, 11, 13-Pentakis(acetyloxy)-4-hydroxy-2, 5, 8, 8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4, 7-epoxycyclopenta[12]annulen-10-yl benzoate | DTXSID30973298 | [(1R, 2R, 4S, 5S, 6R, 7R, 9S, 10S, 11S, 13R, 15S)-2, 5, 7, 9, 11-Pentaacetyloxy-1-hydroxy

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Kansuinine A inhibits IL-6-induced Stat3 activation. Kansuinine A possesses antiviral and anticancer activity.

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

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1CC2(C(C1OC(=O)C)C(C(=C)C(C(C(C(C3C(=O)C(C2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate
• InChIKey: VKHCUWUNVKZFBM-ADCMAJNMSA-N
• INCHI: 1S/C37H46O15/c1-17-16-36(51-24(8)42)26(28(17)46-20(4)38)29(47-21(5)39)18(2)30(48-22(6)40)31(50-34(44)25-14-12-11-13-15-25)33(49-23(7)41)35(9,10)32-27(43)19(3)37(36,45)52-32/h11-15,17,19,26,28-33,45H,2,16H2,1,3-10H3/t17-,19-,26+,28-,29-,30-,31+,32-,33+,36+,37+/m0/s1
• Isomeric SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3C(=O)[C@@H]([C@]2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
• Alternate CAS: 57701-86-7
• PubChem CID: 171606
• MeSH Entry Terms: kansuinin A
• Molecular Weight: 730.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Hexacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Hexacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexacarboxylic acids and derivatives
• Alternative Parents: Benzoic acid esters Benzoyl derivatives Furanones Cyclitols and derivatives Tetrahydrofurans Ketones Hemiacetals Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - 3-furanone - Cyclitol or derivatives - Monocyclic benzene moiety - Tetrahydrofuran - Ketone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.
• 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (136.85 mM)