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CAS 90779-69-4

1-[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11-triazacycloicosane-4-carbonyl]-L-prolyl-L-ornithylglycinamide<-fgf->1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin<-fgf->1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin

登记编号:Atosiban-023

应用背景(按来源药适应症)

产科分娩(早产)阿托西班醋酸盐早产(孕37周前)阿托西班醋酸盐子宫内膜异位症阿托西班醋酸盐

来源药(使用该中间体的合成路线)

品种梯队到期年
阿托西班醋酸盐Atosiban acetateTier C · 观察 / 贸易-

合成路线中的位置(上下游链)

按路线登记顺序排列,左→右为合成方向;高亮为当前 CAS,其余可点击跳转对应档案。

阿托西班醋酸盐优化路线步数:5总收率:0.838g(Atosiban-023)
Resin bound N-[(2S,5S)-2-[(2S)-butan-2-yl]-5-(4-ethoxybenzyl)-4,7-dioxo-9-(tritylsulfanyl)nonanoyl]-O-tert-butyl-L-threonyl-N-trityl-L-asparaginyl-S-trityl-L-cysteinyl-L-prolyl-N5-(tert-butoxycarbonyl)-L-ornithylglycinamid→Resin bound N-[(2S,5R)-5-amino-2-[(2S)-butan-2-yl]-6-(4-ethoxyphenyl)-4-oxohexanoyl]-O-tert-butyl-L-threonyl-N-trityl-L-asparaginyl-S-trityl-L-cysteinyl-L-prolyl-N5-(tert-butoxycarbonyl)-L-ornithylglycinamide→3-(Tritylsulfanyl)propanoic acid→Resin bound 1-([(4R,7S,10S,13S,16S)-13-[(2S)-butan-2-yl]-10-[(1R)-1-tert-butoxyethyl]-16-(4-ethoxybenzyl)-6,9,12,15,18-pentaoxo-7-[2-oxo-2-(tritylamino)ethyl]-1,2-dithia-5,8,11-triazacycloicosan-4-yl]carbonyl)-L-prolyl-N5-(tert-butoxycarbonyl)-L-ornithylglycinamide→1-[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11-triazacycloicosane-4-carbonyl]-L-prolyl-L-ornithylglycinamide<-fgf->1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin<-fgf->1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin
阿托西班醋酸盐优化路线步数:2总收率:/
N-[(2S,5S)-2-[(2S)-Butan-2-yl]-5-[(4-ethoxyphenyl)methyl]-4,7-dioxo-9-sulfanylnonanoyl]-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithylglycinamide→1-[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11-triazacycloicosane-4-carbonyl]-L-prolyl-L-ornithylglycinamide<-fgf->1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin<-fgf->1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin→Resin bound N-[(2S,5S)-2-[(2S)-butan-2-yl]-5-(4-ethoxybenzyl)-4,7-dioxo-9-(tritylsulfanyl)nonanoyl]-O-tert-butyl-L-threonyl-N-trityl-L-asparaginyl-S-trityl-L-cysteinyl-L-prolyl-N5-(tert-butoxycarbonyl)-L-ornithylglycinamid
阿托西班醋酸盐优化路线步数:2总收率:/
O-Ethyl-N-(3-sulfanylpropanoyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithylglycinamide→1-[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11-triazacycloicosane-4-carbonyl]-L-prolyl-L-ornithylglycinamide<-fgf->1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin<-fgf->1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin→Resin bound O-ethyl-N-[3-[(triphenylmethyl)sulfanyl]propanoyl]-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-S-(triphenylmethyl)-L-cysteinyl-L-prolyl-L-ornithylglycinamide

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