原料药中间体是指在药物合成过程中用于生成最终活性成分(即原料药)的化学物质。这些中间体在制药工业中扮演着重要角色,它们通过一系列化学反应逐步转化成成品药物。根据其在生产过程中的位置和功能,可以将原料药中间体分为以下几个类别:
起始物料:这类中间体是最初用于合成最终产品的原材料。它们通常来源于天然产物、化工产品或其他已经存在的化合物。
关键中间体:这些中间体在整个合成过程中起着核心作用,通常是通过复杂的化学反应得到的。它们对于确保原料药的质量和成本效益至关重要。
保护基团:在药物合成中使用这类中间体是为了对某些敏感部分进行临时性或选择性的“保护”,防止它们在不必要的位置上发生副反应。保护完成后可通过特定条件去除这些保护基。
催化剂和添加剂:虽然不直接形成最终产品,但这些物质能够促进化学反应、提高产率或改善产品的质量特性。
分离纯化溶剂:这类中间体主要用于原料药合成过程中的提纯步骤。它们帮助从目标产物中去除杂质并提高产品的纯度。
选择合适的原料药中间体对于保证药物的安全性和有效性至关重要,因此,在其开发过程中需要考虑多个因素,包括成本效益、反应条件的可控性以及环境友好型等方面。
中文名称 | 英文名称 | CAS号 | 化学式 | 结构式图片 |
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[1R-(1alpha,2beta,5alpha)]-1-(异丙基)-2-甲氧基-4-甲基环己烷 | menthyl methyl ether | 1565-76-0 | C11H22O |
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[1-甲基-2-(4’-丁酸乙酯基)-5-N, N-二(2’-羟基乙基)]-1H -苯并咪唑 | ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl]butanoate | 3543-74-6 | C18H27N3O4 |
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[(5-氯-2-吡啶基)氨基]氧代乙酸 | 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid | 552850-73-4 | C7H5ClN2O3 |
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[(2R,3S)-2-(2,5-二氟苯基)-5-羟基四氢-2H-吡喃-3-基]氨基甲酸叔丁酯 | tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamate | 1172623-99-2 | C16H21F2NO4 |
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[(2R)-2-棕榈酰氧基-3-[羟基-[(1S,2R,3R,4S,5S,6S)-2,3,6-三羟基-4,5-二膦酰氧基环己基]氧基磷酰]氧基丙基]棕榈酸酯 | 1D-1-(1',2'-di-O-hexadecanoyl-sn-glycero(3')phospho)-myo-inositol 3,4-bis(ohosphate) | 165883-85-2 | C41H81O19P3 |
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[(2-氯乙氧基)甲基]膦酸二乙酯 | diethyl [(2-chloroethoxy)methyl]phosphonate | 116384-56-6 | C7H16ClO4P |
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[(1S,3S,4S)-4-氨基-3-羟基-5-苯基-1-(苯甲基)戊基]-氨基甲酸叔丁酯 | (2S,3S,5S)-2-amino-5-[N-[(tert-butyloxy)carbonyl]amino]-1,6-diphenyl-3-hydroxyhexane | 144163-85-9 | C23H32N2O3 |
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[(1S,2R)-2-羟基-3-[(2-甲基丙基)氨基]-1-(苯基甲基)丙基]-1,1,-二甲基乙酯 | (2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol | 160232-08-6 | C19H32N2O3 |
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[(1S,2R)-1-苄基-2-羟基-3-[异丁基[(4-硝基苯基)磺酰]氨基]丙基]氨基甲酸叔丁酯 | [(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester | 191226-98-9 | C25H35N3O7S |
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[(1S,2R)-1-苄基-2-羟基-3-[异丁基-[(4-氨基苯基)磺酰基]氨基] 丙基]氨基甲酸叔丁酯 | 3-S-(N-tert-butyloxyformamido)-[2R-hydroxy-1-[(4-aminophenylsulfonyl)(2-methylpropyl)]amino]-4-phenylbutane | 183004-94-6 | C25H37N3O5S |
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[(1S)-3-甲基-1-(2-甲基丙基)-2-氧代-3-丁烯-1-基]氨基甲酸叔丁酯 | (S)-tert-butyl 2,6-dimethyl-3-oxohept-1-en-4-ylcarbamate | 247068-81-1 | C14H25NO3 |
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[(1R,4S)-4-(羟基甲基)-2-环戊烯-1-基]-氨基甲酸叔丁酯 | (1R,cis)-tert-butyl N-[4-(hydroxymethyl)-2-cyclopenten-1-yl] carbamate | 168960-18-7 | C11H19NO3 |
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[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(二苯基氨基)羰基]十二氢-1-甲基-3-氧代萘并[2,3-c]呋喃-6-基]氨基甲酸乙酯 | Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate | 900161-12-8 | C29H34N2O5 |
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[(1R,2S,5S)-2-氨基-5-[(二甲基氨基)羰基]环己基]氨基甲酸叔丁酯 | tert-butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate | 365998-36-3 | C14H27N3O3 |
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[(1R,2S)-3-氯-2-羟基-1-[(苯基硫)甲基]丙基]氨基甲酸苄酯 | benzyl [(2R,3S)-4-chloro-3-hydroxy-1-(phenylsulfanyl)-2-butanyl]carbamate | 159878-02-1 | C18H20ClNO3S |
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[(1R)-2-(6-氨基嘌呤-9-基)-1-甲基-乙氧基]甲基-膦酰氧基-次磷酸 | (R)-9-[2-(phosphonomethoxy)propyl]adenine phosphate | 206646-04-0 | C9H15N5O7P2 |
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[(1R)-1-(4-溴苯基)乙基]氨基甲酸叔丁酯 | tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate | 578729-21-2 | C13H18BrNO2 |
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VX-661中间体 | (2R)-1-[5-amino-2-[1-(benzyloxy)-2-methylpropan-2-yl]6-fluoro-1H-indol-1-yl]-3-(benzyloxy)propan-2-ol | 1294504-67-8 | C29H33FN2O3 |
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VELPATASVIR中间体 | (3S,5S)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)pyrrolidine-3-carboxylic acid | 1378388-35-2 | C12H19NO6 |
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T-BOC-氨氧基-二聚乙二醇-氨基 | tert-butyl {2-[2-(2-aminoethoxy)ethoxy]ethoxy}carbamate | 252378-69-1 | C11H24N2O5 |
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S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰]氧基-羟基磷酰]氧基-2-羟基-3,3-二甲基丁酰基]氨基]丙酰氨基]乙基](E)-十四碳-11-烯硫代羧酸酯 | caffeoyl CoA | 53034-79-0 | C30H42N7O19P3S |
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S-4-boc-2-苯基哌嗪 | (S)-3-phenylpiperazine-1-carboxylic acid tert-butyl ester | 1221274-36-7 | C15H22N2O2 |
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S-2-苄基琥珀酸 | (2S)-benzylsuccinic acid | 3972-36-9 | C11H12O4 |
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S-1-N-BOC-2-氨甲基吡咯烷盐酸盐 | tert-butyl (S)-2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride | 1190890-11-9 | C10H20N2O2*ClH |
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S-(9H-芴-9-基甲基)-L-半胱氨酸 | (R)-9H-fluorenyl-9-methyl-L-cysteine | 84888-38-0 | C17H17NO2S |
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S-(+)-美卡拉明盐酸盐 | S-(+)-mecamylamine hydrochloride | 107596-30-5 | C11H21N*ClH |
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S -(+)-烯虫酯 | (S)-methoprene | 65733-16-6 | C19H34O3 |
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RX-3117中间体 | tert-butyl(((3aR,4R,6aR)-5-fluoro-2,2-dimethyl-6-((trityloxy)methyl)-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)diphenylsilane | 805245-41-4 | C44H45FO4Si |
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N-[(1S,3S)-3-羟基环戊基]氨基甲酸叔丁酯 | (+/-)-tert-butyl ((trans)-3-hydroxycyclopentyl)carbamate | 207729-04-2 | C10H19NO3 |
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REL-((1R,8S,9S,Z)-双环[6.1.0]非-4-烯-9-基)甲醇 | ((1R,8S,Z)-bicyclo[6.1.0]non-4-en-9-yl)methanol | 374898-56-3 | C10H16O |
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R-四氢罂粟碱盐酸盐 | (-)-(R)-norlaudanosine hydrochloride | 54417-53-7 | C20H25NO4*ClH |
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R-叔丁氧羰基-2-(氨基甲基)吡咯烷 | tert-butyl (2R)-2-(2-aminoethyl)-1-pyrrolidinecarboxylate | 550378-07-9 | C11H22N2O2 |
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R-106583(普拉格雷代谢物) | R-106583 | 916599-27-4 | C19H22FNO3S |
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R-(-)-1-茚酚 | (R)-indan-1-ol | 697-64-3 | C9H10O |
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R-(+)-2-(4-羟基苯氧基)丙酸乙酯 | ethyl (R)-(+)-2-(4-hydroxyphenoxy)propionate | 71301-98-9 | C11H14O4 |
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Per氟苯基3-(2-(2-叠氮基乙氧基)乙氧基)丙酸酯 | perfluorophenyl 3-(2-(2-azidoethoxy)ethoxy)propanoate | 1393330-37-4 | C13H12F5N3O4 |
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Palbociclib中间体 | 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8H)-one | 571188-81-3 | C14H16BrN3O2S |
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PR171关键中间体IV | (S)-methyl 2-((S)-2-tert.butoxycarbonyIamino-4-phenylbutanamido-4-methylpentanamido)-3-phenylpropanoate | 868539-96-2 | C31H43N3O6 |
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O-烯丙基-N-(9-蒽甲基)溴化金鸡纳碱 | O-allyl-N-(9-anthracenylmethyl)cinchonidinium bromide | 200132-54-3 | Br*C37H37N2O |
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O-单乙酰更昔洛韦 | monoacetyl ganciclovir | 88110-89-8 | C11H15N5O5 |
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O-[4-环己基-3-(三氟甲基)苄基]羟胺 | O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)hydroxylamine | 800379-62-8 | C14H18F3NO |
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Nα-Boc-Nε-(2-溴代-Z)-L-赖氨酸 | Boc-Lys(2-Bromo-Z)-OH | 47592-74-5 | C19H27BrN2O6 |
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NN-二甲基哌啶-4-胺盐酸盐 | N,N-dimethylpiperidin-4-amine dihydrochloride | 172281-90-2 | C7H16N2*2ClH |
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NLG-919中间体4 | 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone | 1402838-89-4 | C18H20N2O |
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ND-646中间体 | (R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol | 1434652-66-0 | C14H20O4 |
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N6-(2-甲硫基乙基) -2-(3,3,3-三氟丙硫基)腺苷 | 6-N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine | 163706-58-9 | C16H22F3N5O4S2 |
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N4-甲基胞苷 | N<sup>4</sup>-methylcytidine | 10578-79-7 | C10H15N3O5 |
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N2-异丁酰-2'-氟脱氧鸟苷 | N-isobutyryl-2'-deoxy-2'-fluoroguanosine | 80681-25-0 | C14H18FN5O5 |
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N1-异丙烯基-N3-(6-甲氧基-4-甲基喹诺林-8-基)丁烷-1,3-二氢氯化氢 | 4-N-(6-methoxy-4-methylquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamine;hydrochloride | 88756-01-8 | C19H30ClN3O |
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N1-[(4-氟苯基)甲基]-4-硝基-1,3-苯二胺 | 2-amino-4-(4-fluorobenzylamino)-nitrobenzene | 1263404-74-5 | C13H12FN3O2 |
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