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CAS 7724-39-2
(4R,4aR,5R,6S,7S,9S,10R,10aR,11S)-2-amino-6-(hydroxymethyl)-4-methoxy-1,4,4a,5,6,7,9,10-octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,9,10,11-tetraol
登记编号：TETRO-042
应用背景（按来源药适应症）
神经痛河豚毒素海洛因依赖河豚毒素癌症疼痛河豚毒素疼痛河豚毒素中毒河豚毒素
来源药（使用该中间体的合成路线）
| 品种 | 梯队 | 到期年 |
|---|---|---|
| 河豚毒素Tetrodotoxin | Tier 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。
(1S,5R,6R)-6-((benzyloxy)methoxy)-8-(((tert-butyldiphenylsilyl)oxy)methyl)-9-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-5-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-2-oxa-4-azabicyclo[3.3.1]non-7-en-3-one→((1S,5R,6R,7R,8S,9S)-7-acetoxy-9-((benzyloxy)methoxy)-5-((tert-butoxycarbonyl)amino)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-8-hydroxy-2-oxabicyclo[3.3.1]non-3-en-8-yl)methyl benzoate→((1S,5R,6R,7R,8S,9S)-7-acetoxy-9-((benzyloxy)methoxy)-5-((tert-butoxycarbonyl)amino)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-8-hydroxy-3,4-dioxo-2-oxabicyclo[3.3.1]nonan-8-yl)methyl benzoate→((1S,4R,5S,6R,7R,8S,9S)-7-acetoxy-9-((benzyloxy)methoxy)-5-((tert-butoxycarbonyl)amino)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,8-dihydroxy-3-oxo-2-oxabicyclo[3.3.1]nonan-8-yl)methyl benzoate→(1R,3S,5S,6S,7R,8R,9S,10R)-3-(benzoyloxy)-9-((benzoyloxy)methyl)-6-((benzyloxy)methoxy)-7-((tert-butoxycarbonyl)amino)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxaadamantane-9,10-diyl diacetate→(1R,3S,5S,6S,7R,8R,9S,10R)-3-(benzoyloxy)-9-((benzoyloxy)methyl)-7-((tert-butoxycarbonyl)amino)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxaadamantane-6,9,10-triyl triacetate→ tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate→(1R,3S,5S,6S,7R,8R,9S,10R)-3-(benzoyloxy)-9-((benzoyloxy)methyl)-7-((Z)-2,3-bis(tert-butoxycarbonyl)guanidino)-8-(1,2-dihydroxyethyl)-2,4-dioxaadamantane-6,9,10-triyl triacetate→(4R,4aR,5R,6S,7S,9S,10R,10aR,11S)-9-(benzoyloxy)-6-((benzoyloxy)methyl)-2-((tert-butoxycarbonyl)amino)-4-hydroxy-1,4,4a,5,6,7,9,10-octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,10,11-triyl triacetate→(4R,4aR,5R,6S,7S,9S,10R,10aS,11S)-2-amino-9-(benzoyloxy)-6-((benzoyloxy)methyl)-4,10-dihydroxy-1,4,4a,5,6,7,9,10-octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,11-diyl diacetate→(4R,4aR,5R,6S,7S,9S,10R,10aS,11S)-2-amino-9-(benzoyloxy)-6-((benzoyloxy)methyl)-10-hydroxy-4-methoxy-1,4,4a,5,6,7,9,10-octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,11-diyl diacetate→(4R,4aR,5R,6S,7S,9S,10R,10aR,11S,Z)-1,3-diacetyl-2-(acetylimino)-9-(benzoyloxy)-6-((benzoyloxy)methyl)-4-methoxydecahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,10,11-triyl triacetate→(4R,4aR,5R,6S,7S,9S,10R,10aR,11S)-2-amino-6-(hydroxymethyl)-4-methoxy-1,4,4a,5,6,7,9,10-octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,9,10,11-tetraol→(4S,6S,8R,9S,10S,11S,11aR,12R)-2-amino-9-(hydroxymethyl)-1,4,5a,6,8,9,10,11-octahydro-4,8,11a-(epimethanetriyl)-6,10-epoxyoxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol→(R)-2-((tert-butyldimethylsilyl)oxy)-2-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-N,N-dimethylacetamide→1-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-ethynyl-6-isopropoxy-3,6-dihydro-2H-pyran-3-yl)-3-hydroxypropan-2-one→(Z)-3-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-ethynyl-6-isopropoxy-3,6-dihydro-2H-pyran-3-yl)-2-(methoxymethoxy)prop-2-en-1-ol→(1S)-1-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-ethynyl-6-isopropoxy-3,6-dihydro-2H-pyran-3-yl)-1,3-dihydroxypropan-2-one→(1S)-1-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-ethynyl-6-isopropoxy-3,6-dihydro-2H-pyran-3-yl)-3-((tert-butyldiphenylsilyl)oxy)-2-oxopropyl benzoate→(1S)-1-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-(1-((tert-butyldimethylsilyl)oxy)vinyl)-6-methoxy-3,6-dihydro-2H-pyran-3-yl)-3-((tert-butyldiphenylsilyl)oxy)-2-oxopropyl benzoate→(1S,3S,5R,8S)-5-((benzyloxy)methoxy)-1-(((tert-butyldimethylsilyl)oxy)methyl)-7-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methoxy-3,5,8,8a-tetrahydro-1H-isochromen-8-yl benzoate→(1S,5R,8S)-1-(acetoxymethyl)-5-((benzyloxy)methoxy)-7-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methoxy-3,5,8,8a-tetrahydro-1H-isochromen-8-yl benzoate→(1S,5R,8S)-5-((benzyloxy)methoxy)-7-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-1-(hydroxymethyl)-3,5,8,8a-tetrahydro-1H-isochromen-8-yl benzoate→(1S,4R,E)-4-((benzyloxy)methoxy)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-6-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-5-(2-hydroxyethylidene)cyclohex-2-en-1-yl benzoate→(E)-methyl 2-((2R,5S)-2-((benzyloxy)methoxy)-4-(((tert-butyldiphenylsilyl)oxy)methyl)-6-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-5-hydroxycyclohex-3-en-1-ylidene)acetate→tert-butyl ((1R,2R,5S)-2-((benzyloxy)methoxy)-6-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-5-hydroxy-4-(hydroxymethyl)-1-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)cyclohex-3-en-1-yl)carbamate→((1S,2S,4R,5S,6R)-5-((benzyloxy)methoxy)-4-((tert-butoxycarbonyl)amino)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxy-4-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-7-oxabicyclo[4.1.0]heptan-1-yl)methyl benzoate→((1S,2R,4R,5S,6R)-2-acetoxy-5-((benzyloxy)methoxy)-4-((tert-butoxycarbonyl)amino)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-7-oxabicyclo[4.1.0]heptan-1-yl)methyl benzoate→((1S,2R,4R,5S,6R)-2-acetoxy-5-((benzyloxy)methoxy)-4-((tert-butoxycarbonyl)amino)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-(2-oxoethyl)-7-oxabicyclo[4.1.0]heptan-1-yl)methyl benzoate→(2R,3R,4S)-2-(acetoxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triyl triacetate→(2R,3S,6S)-2-(acetoxymethyl)-6-isopropoxy-3,6-dihydro-2H-pyran-3,5-diyl diacetate→(2S,3R,6S)-6-(hydroxymethyl)-2-isopropoxy-3,6-dihydro-2H-pyran-3-ol→(2S,6S)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2-isopropoxy-2H-pyran-3(6H)-one→(2S,3R,6S)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2-isopropoxy-4-methyl-3,6-dihydro-2H-pyran-3-ol→ethynyltrimethylsilane→(2S,3R,6S)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2-isopropoxy-4-((trimethylsilyl)ethynyl)-3,6-dihydro-2H-pyran-3-ol→2-methoxyprop-1-ene→tert-butyl(((2S,5R,6S)-6-isopropoxy-5-(prop-1-en-2-yloxy)-4-((trimethylsilyl)ethynyl)-5,6-dihydro-2H-pyran-2-yl)methoxy)dimethylsilane→1-((2S,3S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-isopropoxy-4-((trimethylsilyl)ethynyl)-3,6-dihydro-2H-pyran-3-yl)propan-2-one→(Z)-3-((2S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-4-ethynyl-6-isopropoxy-3,6-dihydro-2H-pyran-3-yl)-2-hydroxyacrylaldehyde→(2S,5S,6S,8aS)-4-acetyl-6-(((tert-butyldiphenylsilyl)oxy)methyl)-6-hydroxy-2-methoxy-2,4a,5,6,8,8a-hexahydropyrano[3,4-b]pyran-5-yl benzoate→(1S,3S,8S)-1-(((tert-butyldimethylsilyl)oxy)methyl)-7-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methoxy-5-oxo-3,5,8,8a-tetrahydro-1H-isochromen-8-yl benzoate→(E)-methyl 2-((2R,5S,6R)-2-((benzyloxy)methoxy)-4-(((tert-butyldiphenylsilyl)oxy)methyl)-5-(carbamoyloxy)-6-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)cyclohex-3-en-1-ylidene)acetate→methyl 2-(6-((benzyloxy)methoxy)-8-(((tert-butyldiphenylsilyl)oxy)methyl)-9-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-oxo-2-oxa-4-azabicyclo[3.3.1]non-7-en-5-yl)acetate
本站可供应的对应中间体
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