Exatecan mesilate

Base Information

• Chemical Name: Exatecan mesilate
• CAS No.: 169869-90-3
• Molecular Formula: C25H26FN3O7S
• Molecular Weight: 531.5532432
• UNII: Y76278R9RJ
• DSSTox Substance ID: DTXSID10168766
• Wikidata: Q27294336
• NCI Thesaurus Code: C162348
• Mol file: 169869-90-3.mol

Synonyms:DX-8951;Exatecan mesilate;Exatecan (Mesylate);DX-8951f;

Chemical Property of Exatecan mesilate

Chemical Property:

• PSA: 170.19000
• LogP: 3.75820
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 531.14754951
• Heavy Atom Count: 37
• Complexity: 1040

Purity/Quality:

>98% ^*data from raw suppliers

ExatecanMesylate >99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• Recent ClinicalTrials: DX-8951f in Treating Previously Untreated Patients With Stage IIIB or Stage IV Non-small Cell Lung Cancer
• Description: Exatecan mesylate is a semisynthetic, water-soluble derivative of camptothecin with antineoplastic activity. Exatecan mesylate inhibits topoisomerase I activity by stabilizing the cleavable complex between topoisomerase I and DNA and inhibiting the religation of DNA breaks, thereby inhibiting DNA replication and triggering apoptotic cell death. This agent does not require enzymatic activation and exhibits greater potency than camptothecin and other camptothecin analogs.
• Uses: Exatecan Mesylate (DX8951f) is a topoisomerase I inhibitor with an IC50 value of 2.2 μM (0.975 μg/mL) for cancer research.