Biafungin acetate
Grundinformationen
- CAS
1631754-41-0- Standard-SMILES
CC(=O)[O-].CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1- InChIKey
MXMWJAPNUIKPGF-DPHATNFGSA-N- Summenformel
- C65H88N8O19
- Durchschnittliche Molmasse
- 1.285,4 g/mol
- Monoisotopische Masse
- 1.284,61657261
Überblick
Rezafungin Acetate is the acetate form of rezafungin, a next-generation, semi-synthetic, cyclic lipopeptide and echinocandin derivative, with potential antifungal activity. Upon administration, rezafungin inhibits the fungal specific enzyme 1,3-beta-D-glucan synthase, which is essential for fungal cell wall synthesis, and results in decreased synthesis of beta(1,3)-D-glucan. This weakens the fungal cell wall thereby causing osmotic lysis, fungal cell wall rupture and fungal cell death.
Namen und Bezeichner
- Bevorzugter Name
- Biafungin acetate
- IUPAC
- 2-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethyl-trimethylazanium acetate
- Englischer Name
- Hydronidone
- Summenformel
- C65H88N8O19
- Molmasse
- 1285.46
Namen und Synonyme
Biafungin acetateCD101 acetateCD-101 acetateSP-3025 acetateRezafungin acetate [USAN]W1U1TMN6772-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethyl-trimethylazanium;acetateRezafungin acetate [MI]UNII-W1U1TMN677REZAFUNGIN ACETATE [INN]MXMWJAPNUIKPGF-MLAUIKIVSA-NREZAFUNGIN ACETATE [WHO-DD]
Weitere Namen anzeigen
Rezafungin acetateHydronidoneZafungin AcetateRezafenib AcetateRezafungin (Biafungin)
Q272922002-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethyl-trimethylazanium acetateECHINOCANDIN B, 1-((4R,5R)-4-HYDROXY-N2-((4''-(PENTYLOXY)(1,1':4',1''-TERPHENYL)-4-YL)CARBONYL)-5-(2-(TRIMETHYLAMMONIO)ETHOXY)-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-ALLOTHREONINE)-, ACETATE (1:1)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 407 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 19
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 92
- Formalladung
- 0
- Komplexität
- 2.330
Physikochemische Eigenschaften
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Zugehörige Reaktionen
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