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【结构式】

【分子编号】66163

【品名】　　

【CA登记号】　

【分子式】C₅₆H₈₄N₈O₁₆S

【分子量】1157.39

【元素组成】C 58.11% H 7.31% N 9.68% O 22.12% S 2.77%

与该中间体有关的原料药合成路线共 3 条

合成路线1 合成路线2 合成路线3

合成路线1

该中间体在本合成路线中的序号：(VI)

　

参考文献中间体

【1】 Bouffard FA.Zambias RA,Dropinski.JF,et aL 1994.Synthesis and antifungal activity of novel cationic poeumocandin B derivatives J Med Chem, 37: 222～225

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	47003	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-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		C₅₀H₈₀N₈O₁₇	详情	详情
(II)	66161			C₅₀H₈₀N₈O₁₅	详情	详情
(III)	47005	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-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		C₅₀H₈₂N₈O₁₆	详情	详情
(IV)	47007	N-[(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)sulfanyl]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-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		C₅₂H₈₇N₉O₁₅S	详情	详情
(V)	66162			C₅₂H₈₇N₉O₁₅S	详情	详情
(VI)	66163			C₅₆H₈₄N₈O₁₆S	详情	详情

合成路线2

该中间体在本合成路线中的序号：(II)

　

参考文献中间体

【1】 Leonard Jr WR, Belyk KW, Conlon DA, et al.2007. Synthesis of the antifungal β-1,3-glucad synthase.inhibitor CANCIDAS (caspofungin aeetate) from Imeumocandin Bo J Or{j{ Chem, 72: 2335~2343

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	47003	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-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		C₅₀H₈₀N₈O₁₇	详情	详情
(II)	66163			C₅₆H₈₄N₈O₁₆S	详情	详情
(III)	66164			C₆₂H₈₈N₈O₁₅S₂	详情	详情
(IV)	47006	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-12-(phenylsulfanyl)tetracosahydro-1H-dipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanamide		C₅₆H₈₆N₈O₁₅S	详情	详情

合成路线3

该中间体在本合成路线中的序号：(IV)

　

参考文献中间体

【1】 Belyk KM, Bender DR, Black RM,et aL 1996.Process for:preparing certain are cyclohexapeptides,US 5552521
【2】 Balkovec JM, Black RM, Bouffard FA 1995. Aza cyclohexapeptide conacpounds. US 5378804

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	47003	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-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		C₅₀H₈₀N₈O₁₇	详情	详情
(II)	47005	N-[(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-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		C₅₀H₈₂N₈O₁₆	详情	详情
(III)	12951	Benzenethiol; Phenylmercaptan; Phenylhydrosulfide	108-98-5	C₆H₆S	详情	详情
(IV)	66163			C₅₆H₈₄N₈O₁₆S	详情	详情
(V)	14754	ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine	107-15-3	C₂H₈N₂	详情	详情

Extended Information