(3aS)-8,8-Dimethylhexahydro-3a,6-methano-2lambda6-2lambda6,1-benzothiazole-2,2(3H)-dione（CAS 94594-90-8）中间体

应用背景（按来源药适应症）

乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate胰腺癌紫杉醇非小细胞肺癌紫杉醇霍奇金病紫杉醇精原细胞瘤紫杉醇卵巢癌紫杉醇乳腺癌紫杉醇二型糖尿病米格列奈钙糖尿病米格列奈钙

来源药（使用该中间体的合成路线）

品种	梯队	到期年
Paclitaxel/Encequidar mesylate	Tier C · 观察 / 贸易	-
紫杉醇Paclitaxel	Tier B · 提前布局	-
米格列奈钙Mitiglinide	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。

Paclitaxel/Encequidar mesylate优化路线步数：6总收率：/

(3aS)-8,8-Dimethylhexahydro-3a,6-methano-2lambda6-2lambda6,1-benzothiazole-2,2(3H)-dione→2-((4-methoxybenzyl)oxy)acetyl chloride→(1S,5S,7R)-4-{2-[(4-methoxyphenyl)methoxy]acetyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane-3,3-dione→N-[(1Z)-Phenylmethylidene]benzamide→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl (2R,4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate→N-[(1S,2R)-3-[(1S,5S,7R)-10,10-dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]decan-4-yl]-2-[(4-methoxyphenyl)methoxy]-3-oxo-1-phenylpropyl]benzamide→(1S,5S,7R)-4-{[(4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidin-5-yl]carbonyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane-3,3-dione→(4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Bis(acetyloxy)-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate

紫杉醇优化路线步数：6总收率：/

(3aS)-8,8-Dimethylhexahydro-3a,6-methano-2lambda6-2lambda6,1-benzothiazole-2,2(3H)-dione→2-((4-methoxybenzyl)oxy)acetyl chloride→(1S,5S,7R)-4-{2-[(4-methoxyphenyl)methoxy]acetyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane-3,3-dione→N-[(1Z)-Phenylmethylidene]benzamide→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl (2R,4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate→N-[(1S,2R)-3-[(1S,5S,7R)-10,10-dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]decan-4-yl]-2-[(4-methoxyphenyl)methoxy]-3-oxo-1-phenylpropyl]benzamide→(1S,5S,7R)-4-{[(4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidin-5-yl]carbonyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane-3,3-dione→(4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Bis(acetyloxy)-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate

米格列奈钙优化路线步数：6总收率：0.82 g

(3aR,7aS)-octahydro-1H-isoindole→(S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoic acid→tert-butyl 2-bromoacetate→(3aS,6R)-8,8-dimethylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide→3-phenylpropanoyl chloride→1-((3aS,6R)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)-3-phenylpropan-1-one→tert-butyl (3S)-3-benzyl-4-((3aS,6R)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)-4-oxobutanoate→(3S)-3-benzyl-4-((3aS,6R)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)-4-oxobutanoic acid→(2S)-2-benzyl-1-((3aS,6R)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)butane-1,4-dione

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