Caspofungin Acetate-d4

Base Information

• Chemical Name: Caspofungin Acetate-d4
• CAS No.: 162808-62-0
• Molecular Formula: C52H88N10O15
• Molecular Weight: 1093.31
• Wikipedia: Caspofungin
• NCI Thesaurus Code: C28910
• RXCUI: 140108
• Mol file: 162808-62-0.mol

Synonyms:Cancidas;caspofungin;caspofungin acetate;Caspofungin MSD;L 743,872;L 743872;L-743,872;L-743872;L743,872;L743872;MK 0991;MK-0991;MK0991

Chemical Property of Caspofungin Acetate-d4

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 1408.108 °C at 760 mmHg
• PKA: 9.86±0.26(Predicted)
• Flash Point: 805.395 °C
• PSA: 400.00000
• Density: 1.361 g/cm³
• LogP: 0.76120
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 23
• Exact Mass: 1092.64306214
• Heavy Atom Count: 77
• Complexity: 1900

Purity/Quality:

99% ^*data from raw suppliers

Caspofungine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O
• Recent ClinicalTrials: A Study to Learn About the Study Medicine (Called Fosmanogepix/ PF-07842805) in People With Candidemia and/or Invasive Candidiasis.
• Recent EU Clinical Trials: A Phase 3, Multicenter, Prospective, Randomized, Double-blind Study of Two Treatment Regimens for Candidemia and/or Invasive Candidiasis: Intravenous Echinocandin followed by Oral Ibrexafungerp versus Intravenous Echinocandin followed by Oral Fluconazole (MARIO)
• Uses: Caspofungin is an antifungal drug, and belongs to a new class termed the echinocandins. It is used to treat Aspergillus and Candida infection, and works by inhibiting cell wall synthesis. Antifungals in the echinocandin class inhibit the synthesis of glucan in the cell wall, probably via the enzyme 1,3-beta glucan synthase. There is a potential for resistance development to occur, however in vitro resistance development to Caspofungin by Aspergillus species has not been studied.
• Clinical Use: Candidemia and certain invasive forms of candidosis Esophageal candidosis Invasive aspergillosis unresponsive to other antifungal drugs Empirical treatment of presumed fungal infections in febrile neutropenic patients
• Drug interactions: Potentially hazardous interactions with other drugs Ciclosporin: monitor liver enzymes as transient increases in ALT and AST have been reported with concomitant administration. Avoid coadministration if possible. Increases AUC of caspofungin by 35%. Tacrolimus: reduces tacrolimus trough concentration by 26%.