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N-Nitroso Caspofungin (Ditrifluoroacetate Salt); Synthesis Attempts and Failure Report (NAP Test)

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Catalogue No.:	VE0028178
CAS No.:	N/A

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Smiles

CC[C@H](C)C[C@H](C)CCCCCCCCC(N[C@@H]1C(N[C@@H]([C@H](O)C)C(N2[C@](C[C@@H](O)C2)([H])C(N[C@@H]([C@H](O)[C@@H](O)C3=CC=C(O)C=C3)C(N[C@@H]([C@H](O)CCN)C(N4[C@]([C@@H](O)CC4)([H])C(N[C@H](N(CCN)N=O)[C@H](O)C1)=O)=O)=O)=O)=O)=O)=O.O=C(O)C(F)(F)F

Experiments

10 synthesis attempts under recommended conditions for nitroso impurity formation. Along with HPLC, MASS/LCMS, NMR, IR performed for all 10 experiments

Report Format

Delivered in digital PDF format. Printed copies available on request (additional shipping and handling charges apply).

Report Language

English by default. Certified translations available at extra cost via our third-party translation partner.

Description

N-Nitroso Caspofungin (Ditrifluoroacetate Salt) is a proposed nitrosamine impurity related to caspofungin ditrifluoroacetate salt, a salt form related to the echinocandin antifungal caspofungin. The impurity is considered a potential nitrosation product of a nitrosatable amine-containing peptide-related moiety that, in the presence of nitrosating agents (e.g., nitrite/nitrous acid) under acidic conditions, could form the corresponding N-nitroso derivative.

Nitrosation

We conducted multiple nitrosation assays under rigorous forced conditions (NAP tests), to evaluate the risk of N-Nitroso Caspofungin (Ditrifluoroacetate Salt) formation. Our findings revealed that N-Nitroso Caspofungin (Ditrifluoroacetate Salt) does not readily undergo nitrosation under the expected conditions, significantly reducing concerns about its potential formation.

Request Synthesis Failure Report Quote

Our synthesis failure report provides a detailed account of the findings from our synthesis attempts and rigorous testing, demonstrating the non-formation of the nitroso impurity. It offers a comprehensive overview of the evaluated conditions and the resulting data.

N-Nitroso Caspofungin (Ditrifluoroacetate Salt) Technical Information

Molecular Weight: 1350.37 g/mol
Molecular Formula: C52H87N11O16. 2 C2HF3O2
IUPAC Name: (10R,12S)-N-((2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)(nitroso)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide, 2,2,2-trifluoroacetic acid (1:2)
CAS Number: N/A
Synonyms: N/A

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