Minnelide - ≥99% , CAS No.1254702-87-8

CAS: 1254702-87-8 Cat. No.: M1423219 PubChem CID: 46203139

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Minnelide is a prodrug of triptolide that shows potent antitumor activity in a number of tumor types, particularly in pancreatic cancer. Minnelide promotes apoptosis.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OCOP(=O)([O-])[O-])O7)COC6=O)C.[Na+].[Na+]
• IUPAC Name: disodium;[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxymethyl phosphate
• InChIKey: ZHBJMVNZRZUQEP-KIKMAQITSA-L
• INCHI: 1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1
• Isomeric SMILES: CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OCOP(=O)([O-])[O-])O7)COC6=O)C.[Na+].[Na+]
• Alternate CAS: 1254702-87-8
• PubChem CID: 46203139
• MeSH Entry Terms: 14-O-phosphonooxymethyltriptolide;14-O-phosphonooxymethyltriptolide disodium salt;minnelide;Minnelide free acid

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Butenolides Alkyl phosphates Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - 2-furanone - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Organic alkali metal salt - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic salt - Organic sodium salt - Carbonyl group - Organic oxygen compound - Organic cation - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• 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