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CAS 100-52-7

benzaldehydeBenzaldehydeBitter almond

登记编号:RIVA-031、MIRA-012、ENCO-001、(VII)101438-5-a、(II)101438-10-a、(I)101438-13-a、(IX)101438-62-a、(I)101438-70-a、BENV-011、Enalapril-049、Atorvastatin-042、Tamsulosin Hydrochloride-020 等 23 个

应用背景(按来源药适应症)

肺栓塞利伐沙班中风利伐沙班先天性心脏缺损利伐沙班血栓形成利伐沙班静脉血栓栓塞利伐沙班冠状动脉疾病利伐沙班神经性膀胱功能障碍米拉贝隆膀胱过度活动症米拉贝隆非小细胞肺癌恩考芬尼结直肠癌恩考芬尼甲状腺瘤恩考芬尼黑色素瘤恩考芬尼乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate斑块银屑病本维莫德特应性皮炎本维莫德银屑病本维莫德皮肤T细胞淋巴瘤本维莫德蕈样真菌病本维莫德梅勒达病本维莫德心脏和血管疾病阿托伐他汀/氢氯噻嗪/阿司匹林/依那普利高血压阿托伐他汀/氢氯噻嗪/阿司匹林/依那普利高脂血症阿托伐他汀/氢氯噻嗪/阿司匹林/依那普利心脏病阿托伐他汀/氢氯噻嗪/阿司匹林/依那普利勃起功能障碍他达拉非/坦洛新前列腺增生他达拉非/坦洛新膀胱癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)头颈癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)头颈部鳞状细胞癌多西他赛纳米胶束 (Samyang Biopharmaceuticals)实体瘤多西他赛纳米胶束 (Samyang Biopharmaceuticals)低血压硫酸麻黄碱下尿路症状琥珀酸索利那新/盐酸坦洛新前列腺增生琥珀酸索利那新/盐酸坦洛新膀胱过度活动症琥珀酸索利那新/盐酸坦洛新药物相关的副作用和不良反应琥珀酸索利那新/盐酸坦洛新膀胱颈梗阻琥珀酸索利那新/盐酸坦洛新骨质疏松症伊班膦酸钠/胆骨化醇前列腺增生度他雄胺/盐酸坦洛新原发性高血压马来酸依那普利/叶酸高脂血症阿托伐他汀锶蛛网膜下腔出血阿托伐他汀锶高血压阿托伐他汀锶前列腺增生盐酸坦洛新泌尿系统感染盐酸坦洛新尿潴留盐酸坦洛新腹股沟疝盐酸坦洛新排尿功能障碍盐酸坦洛新下尿路症状盐酸坦洛新心脏衰竭马来酸依那普利高血压马来酸依那普利心肌梗塞马来酸依那普利心绞痛马来酸依那普利左心室功能不全马来酸依那普利实体瘤马来酸依那普利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骨质疏松症伊班膦酸钠绝经期后骨质疏松伊班膦酸钠高钙血症伊班膦酸钠骨损伤伊班膦酸钠乳腺癌伊班膦酸钠转移癌伊班膦酸钠非小细胞肺癌多西他赛(贝海生物)前列腺癌多西他赛(贝海生物)去势抵抗性前列腺肿瘤多西他赛(贝海生物)乳腺癌多西他赛(贝海生物)头颈癌多西他赛(贝海生物)头颈部鳞状细胞癌多西他赛(贝海生物)二型糖尿病米格列奈钙糖尿病米格列奈钙分离性焦虑S-fluoxetine焦虑S-fluoxetine焦虑症S-fluoxetine分离性焦虑R-fluoxetine焦虑R-fluoxetine焦虑症R-fluoxetine肺动脉高压Zamicastat肺疾病Zamicastat心脏衰竭Zamicastat非小细胞肺癌普那布林中性粒细胞减少普那布林多发性骨髓瘤普那布林肺癌普那布林小细胞肺癌普那布林Merkel细胞癌普那布林

来源药(使用该中间体的合成路线)

品种梯队到期年
利伐沙班RivaroxabanTier A · 立即攻坚2026
米拉贝隆MirabegronTier B · 提前布局2029
恩考芬尼EncorafenibTier C · 观察 / 贸易2030
Paclitaxel/Encequidar mesylateTier C · 观察 / 贸易-
本维莫德BenvitimodTier C · 观察 / 贸易-
阿托伐他汀/氢氯噻嗪/阿司匹林/依那普利Atorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilTier C · 观察 / 贸易-
他达拉非/坦洛新Tadalafil/TamsulosinTier C · 观察 / 贸易-
多西他赛纳米胶束 (Samyang Biopharmaceuticals)Docetaxel polymeric micelle (Samyang Biopharmaceuticals)Tier C · 观察 / 贸易-
硫酸麻黄碱Ephedrine SulfateTier C · 观察 / 贸易-
琥珀酸索利那新/盐酸坦洛新Solifenacin Succinate/Tamsulosin HydrochlorideTier C · 观察 / 贸易-
伊班膦酸钠/胆骨化醇Ibandronate Sodium Hydrate/ColecalciferolTier C · 观察 / 贸易-
度他雄胺/盐酸坦洛新Dutasteride/Tamsulosin HydrochlorideTier C · 观察 / 贸易-
马来酸依那普利/叶酸Enalapril Maleate/Folic AcidTier C · 观察 / 贸易-
阿托伐他汀锶Atorvastatin strontiumTier C · 观察 / 贸易-
盐酸坦洛新Tamsulosin HydrochlorideTier C · 观察 / 贸易-
马来酸依那普利Enalapril MaleateTier C · 观察 / 贸易-
紫杉醇PaclitaxelTier B · 提前布局-
伊班膦酸钠Ibandronate Sodium HydrateTier C · 观察 / 贸易-
多西他赛(贝海生物)Docetaxel (Beihai)Tier C · 观察 / 贸易-
米格列奈钙MitiglinideTier C · 观察 / 贸易-
S-fluoxetineTier C · 观察 / 贸易-
R-fluoxetineTier C · 观察 / 贸易-
ZamicastatTier C · 观察 / 贸易-
普那布林PlinabulinTier 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。

恩考芬尼原研路线步数:17总收率:/
benzaldehyde→isopropylhydrazine hydrochloride→(E)-1-benzylidene-2-isopropylhydrazine→2-(ethoxymethylene)malononitrile→(E)-2-((2-benzylidene-1-isopropylhydrazinyl)methylene)malononitrile→3-amino-1-isopropyl-1H-pyrazole-4-carbonitrile→1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethan-1-one→1-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)ethan-1-one→(Z)-3-(dimethylamino)-1-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)prop-2-en-1-one→guanidine hydrochloride→4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-amine→4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ol→2-chloro-4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidine→methyl (S)-(1-aminopropan-2-yl)carbamate hydrochloride→methyl (S)-(1-((4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate→tert-butyl (5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate→methyl (S)-(1-((4-(3-(3-((tert-butoxycarbonyl)amino)-5-chloro-2-fluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate→methyl (S)-(1-((4-(3-(3-amino-5-chloro-2-fluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate→methyl (S)-(1-((4-(3-(5-chloro-2-fluoro-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate→2-bromo-4-chloro-1-fluorobenzene→3-bromo-5-chloro-2-fluorobenzoic acid→tert-butyl (3-bromo-5-chloro-2-fluorophenyl)carbamate→4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)
Paclitaxel/Encequidar mesylate优化路线步数:11总收率:/
(4S,5R)-3-(2-bromoacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one→Benzaldehyde→(4S,5R)-3-[(2S,3R)-2-bromo-3-hydroxy-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one→Ethyl (2R,3R)-3-phenyloxirane-2-carboxylate→(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→Ethyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate→Ethyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoate→Ethyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate→3-tert-butyl 5-ethyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-1,13-dihydroxy-9-oxo-7-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5,20-epoxytax-11-en-2-yl benzoate→5-(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-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-15-yl 3-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1-hydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-9-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate

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Qualified Partner — East China API Works4-(4-Aminophenyl)morpholin -3-one
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Unibest Nantong cGMP Site(S)-(+)-N-(2,3-Epoxypropyl)phthalimide
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Unibest Taizhou GMP-like Site5-Chlorothiophene-2-carboxylic acid
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Qualified Partner — East China API Works5-Chlorothiophene-2-carbonyl chloride
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Unibest Nantong cGMP Site2-[[(5S)-2-0x0-3-[4-(3-0xo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione
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Unibest Taizhou GMP-like Site4-[4-[(5S)-5-(Aminomethyl)-2-0xo-3-oxazolidinyl]phenyl] -3-morpholinone hydrochloride
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Qualified Partner — East China API Works2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-Morpho linyl)phenyl]aMino]propyl]-1H-isoindole-1 ,3(2H)-dione
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