Fosbretabulin disodium

Base Information

• Chemical Name: Fosbretabulin disodium
• CAS No.: 168555-66-6
• Deprecated CAS: 229027-07-0
• Molecular Formula: C18H19Na2O8P
• Molecular Weight: 440.30
• UNII: 702RHR475O
• Nikkaji Number: J962.551H
• Wikidata: Q27265817
• NCI Thesaurus Code: C2503
• ChEMBL ID: CHEMBL289351
• Mol file: 168555-66-6.mol

Synonyms:1-(3,4,5-trimethoxyphenyl)-2-(3'-hydroxy-4'-methoxyphenyl)ethene;2-methoxy-5-((z)-2-(3,4,5-trimethoxyphenyl)vinyl)phenyl dihydrogen phosphate;3,4,5-trimethoxy-3'-hydroxy-4'-methoxystilbene;CA4DP;combretastatin A-4;combretastatin A-4 disodium phosphate;combretastatin A4;combretastatin A4 phosphate;CRC 87-09;CRC-98-09;deoxycombretastatin A-4;fosbretabulin;isocombretastatin A-4;NSC 817373;NSC-817373;phenol, 2-methoxy-5-((1z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-,1-(dihydrogen phosphate);phenol, 2-methoxy-5-((z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, dihydrogen phosphate

Chemical Property of Fosbretabulin disodium

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 7.99E-16mmHg at 25°C
• Melting Point: 238-242 °C
• Boiling Point: 611.8 °C at 760 mmHg
• Flash Point: 323.8 °C
• PSA: 119.15000
• LogP: 4.23930
• Storage Temp.: Refrigerator
• Solubility.: H2O: soluble5mg/mL, clear
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 440.06129312
• Heavy Atom Count: 29
• Complexity: 496

Purity/Quality:

≥98% ^*data from raw suppliers

Combretastatin A-4 Phosphate, Disodium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
• Recent ClinicalTrials: Combretastatin A4 Phosphate in Treating Patients With Advanced Solid Tumors
• Uses: Phosphorylated Combretastatin, a small organic molecule found in the bark of the African bush willow tree Combretum caffrum. Combretastatin-A4 Prodrug Induces Mitotic Catastrophe in Chronic Lymphocytic Leukemia Cell Line Independent of Caspase Activation and Poly(ADP-ribose) Polymerase Cleavage. A potent cytotoxic agent which strongly inhibits the polymerization of tubulin by binding to the colchicine site.