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CAS 2401852-68-2
3(4)-(Pentyloxy)-N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-23-[(4S,5S)-5-(4-hydroxyphenyl)-2-phenyl-1,3,2-dioxaborolan-4-yl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl][1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide
Codes: (XXVa)796686-1-d
Application context (from source-drug indications)
侵袭性念珠菌病Rezafungin acetateCandidiasisRezafungin acetateCandidaemiaRezafungin acetate卡氏肺囊虫感染Rezafungin acetate侵袭性真菌感染Rezafungin acetateAspergillus infectionRezafungin acetate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Rezafungin acetate | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
(S)-N-Boc-allylglycine→Allylamine→tert-Butyl [(2S)-1-oxo-1-[(prop-2-en-1-yl)amino]pent-4-en-2-yl]carbamate→tert-Butyl [(3S)-2-oxo-1,2,3,4-tetrahydropyridin-3-yl]carbamate→tert-Butyl [(3S,5R,6R)-5,6-dihydroxy-2-oxopiperidin-3-yl]carbamate→(4R,5R)-N2-(tert-Butoxycarbonyl)-4,5-dihydroxy-L-ornithine→(4R,5R)-N2-(tert-Butoxycarbonyl)-N5-[[(9H-fluoren-9-yl)oxy]carbonyl]-4,5-dihydroxy-L-ornithine→(4R,5R)-4,5-Bis(acetyloxy)-N2-(tert-butoxycarbonyl)-N5-[[(9H-fluoren-9-yl)oxy]carbonyl]-L-ornithine→Resin bound (4R,5R)-4,5-bis(acetyloxy)-N2-(tert-butoxycarbonyl)-N5-[[(9H-fluoren-9-yl)oxy]carbonyl]-L-ornithine→(3S,4S)-N-Fmoc-3-acetoxy-4-methyl-L-proline→Resin bound N5-[(3S,4S)-3-(acetyloxy)-1-[[(9H-fluoren-9-yl)oxy]carbonyl]-4-methyl-L-prolyl]-(4R,5R)-4,5-bis(acetyloxy)-N2-(tert-butoxycarbonyl)-L-ornithine→O-Acetyl-N-[[(9H-fluoren-9-yl)oxy]carbonyl]-L-threonine→Resin bound N5-[O-acetyl-N-[[(9H-fluoren-9-yl)oxy]carbonyl]-L-threonyl-(3S,4S)-3-(acetyloxy)-4-methyl-L-prolyl]-(4R,5R)-4,5-bis(acetyloxy)-N2-(tert-butoxycarbonyl)-L-ornithine→3(4)-(Pentyloxy)-N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-23-[(4S,5S)-5-(4-hydroxyphenyl)-2-phenyl-1,3,2-dioxaborolan-4-yl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl][1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide
(11aS,25aS)-N-[9(S)-[1(S),2(S)-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-1(S),13(R),22(R),23(R)-tetrahydroxy-6(S),17(S)-bis[1(R)-hydroxyethyl]-2(S)-methyl-5,8,11,16,19,25-hexaoxoperhydrodipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-20(S)-yl]-4''-pentyloxy-p-terphenyl-4-carboxamide→Methyl iodide→3(4)-(Pentyloxy)-N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-23-[(4S,5S)-5-(4-hydroxyphenyl)-2-phenyl-1,3,2-dioxaborolan-4-yl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl][1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide→3(4)-(Pentyloxy)-N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-23-[(4S,5S)-5-(4-hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolan-4-yl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl][1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide→N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(4S,5S)-2-(3,4-Dimethoxyphenyl)-5-(4-hydroxyphenyl)-1,3,2-dioxaborolan-4-yl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-3(4)-(pentyloxy)[1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide→N-[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(4S,5S)-2-(2,6-Dimethylphenyl)-5-(4-hydroxyphenyl)-1,3,2-dioxaborolan-4-yl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-3(4)-(pentyloxy)[1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carboxamide→2-Hydroxy-N,N,N-trimethylethylammonium chloride→2-[[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[3(4)-(pentyloxy)[1(1),2(1):2(4),3(1)-terphenyl]-1(4)-carbonyl]amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl]oxy]-N,N,N-trimethylethan-1-aminium→2-(Dimethylamino)ethanol hydrochloride
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