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原料药中间体

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:

  1. 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。

  2. 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。

  3. 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。

  4. 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。

  5. 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。

下级分类

中文名称 英文名称 CAS号 化学式 结构式图片
—— tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl(L-valyl)amino]heptanoate 177423-00-6 C19H38N2O4
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl(L-valyl)amino]heptanoate
—— 4,4,5,5-tetramethyl-2-(4-(2,2,2-trifluoroethoxy)phenyl)-1,3,2-dioxaborolane 886528-42-3 C14H18BF3O3
4,4,5,5-tetramethyl-2-(4-(2,2,2-trifluoroethoxy)phenyl)-1,3,2-dioxaborolane
—— (1R,3s,5S)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 423165-13-3 C20H28N4
(1R,3s,5S)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
—— (2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)acetamido)methyl acetate 1599440-06-8 C20H20N2O5
(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)acetamido)methyl acetate
—— exo-8-Benzyl-8-azabicyclo[3.2.1]octan-3-amine 76272-36-1 C14H20N2
exo-8-Benzyl-8-azabicyclo[3.2.1]octan-3-amine
—— (2S)-2-amino-N-[(1S)-2-[4-(hydroxymethyl)anilino]-1-methyl-2-oxoethyl]-3-methylbutanamide 1343476-44-7 C15H23N3O3
(2S)-2-amino-N-[(1S)-2-[4-(hydroxymethyl)anilino]-1-methyl-2-oxoethyl]-3-methylbutanamide
—— 4-cyanocyclohexane-1-carboxylic acid 15177-68-1 C8H11NO2
4-cyanocyclohexane-1-carboxylic acid
—— (1R,3R,4R)-3-hydroxy-4-mercapto-cyclohexylcarbamic acid tert-butyl ester 1350636-75-7 C11H21NO3S
(1R,3R,4R)-3-hydroxy-4-mercapto-cyclohexylcarbamic acid tert-butyl ester
—— tert-butyl N-[(1R,3R,4R)-4-(benzoylsulfanyl)-3-hydroxycyclohexyl]carbamate 1350636-89-3 C18H25NO4S
tert-butyl N-[(1R,3R,4R)-4-(benzoylsulfanyl)-3-hydroxycyclohexyl]carbamate
—— 3,3,20,20-bis(ethylene-dioxy)-5α-17α-dihydroxy-11β-[4-(N,N-dimethylamino)-phenyl-]-19-norpregna-9(11)-ene 126690-41-3 C32H45NO6
3,3,20,20-bis(ethylene-dioxy)-5α-17α-dihydroxy-11β-[4-(N,N-dimethylamino)-phenyl-]-19-norpregna-9(11)-ene
—— {(1R,2R,4R)-4-[(2,2,2-trifluoro-acetyl)-amino]-2-hydroxy-cyclohexyl} benzene-carbothioate 1350636-92-8 C15H16F3NO3S
{(1R,2R,4R)-4-[(2,2,2-trifluoro-acetyl)-amino]-2-hydroxy-cyclohexyl} benzene-carbothioate
—— 1,3-Dithietane-2-carboxylic acid, 4-[1-(aminocarbonyl)-2-(1,1-dimethylethoxy)-2-oxoethylidene]- 955010-42-1 C10H13NO5S2
1,3-Dithietane-2-carboxylic acid, 4-[1-(aminocarbonyl)-2-(1,1-dimethylethoxy)-2-oxoethylidene]-
—— (E)-N-methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-yl)thio)benzamide 885126-35-2 C27H26N4O2S
(E)-N-methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-yl)thio)benzamide
—— (E)-6-nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 886230-75-7 C19H18N4O3
(E)-6-nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
—— MOE 5-Me-C Amidite 163759-94-2 C50H60N5O10P
MOE 5-Me-C Amidite
—— (3R,4R)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid 1207267-93-3 C12H21NO4
(3R,4R)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid
—— methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate 848052-89-1 C12H12O5
methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate
—— trans-(4-tert-butoxycarbonylamino-cyclohexyl)-acetic acid ethyl ester 946598-34-1 C15H27NO4
trans-(4-tert-butoxycarbonylamino-cyclohexyl)-acetic acid ethyl ester
—— (E)-4-bromo-N-hydroxybenzimidoyl chloride 29203-58-5 C7H5BrClNO
(E)-4-bromo-N-hydroxybenzimidoyl chloride
—— 2-bromo-1,3-dichloro-5-iodobenzene 1000574-29-7 C6H2BrCl2I
2-bromo-1,3-dichloro-5-iodobenzene
—— (4-chloro-2-(methoxycarbonyl)phenyl)boronic acid 1612256-37-7 C8H8BClO4
(4-chloro-2-(methoxycarbonyl)phenyl)boronic acid
—— tert-butyl 1H-pyrrole-3-carboxylate 741606-06-4 C9H13NO2
tert-butyl 1H-pyrrole-3-carboxylate
—— 6-chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione 887581-47-7 C7H9ClN2O2
6-chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione
—— (E)-N'-(2-cyano-4-nitrophenyl)-N,N'-dimethylformimidamide 39263-34-8 C10H10N4O2
(E)-N'-(2-cyano-4-nitrophenyl)-N,N'-dimethylformimidamide
—— 2-(4-bromophenyl)-2-oxoacetaldehyde hydrate 80352-42-7 C8H5BrO2*H2O
2-(4-bromophenyl)-2-oxoacetaldehyde hydrate
—— 4-[1-(1,3,4-triazolyl)methyl]-benzonitrile 112809-25-3 C10H8N4
4-[1-(1,3,4-triazolyl)methyl]-benzonitrile
—— (1R,5S,6s)-tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate 273206-92-1 C10H18N2O2
(1R,5S,6s)-tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
—— (2S,5R)-ethyl 5-((benzyloxy)amino)piperidine-2-carboxylate 1416134-47-8 C15H22N2O3
(2S,5R)-ethyl 5-((benzyloxy)amino)piperidine-2-carboxylate
—— 4′,5′-bis(1,3,2-dithioarsolan-2-yl) fluorescein 212118-77-9 C24H18As2O5S4
4′,5′-bis(1,3,2-dithioarsolan-2-yl) fluorescein
—— 7-amino-3-(1-methyl-1H-tetrazole-5-ylthiomethyl)-3-cephem-4-carboxylic acid 24209-38-9 C10H12N6O3S2
7-amino-3-(1-methyl-1H-tetrazole-5-ylthiomethyl)-3-cephem-4-carboxylic acid
—— methyl 3-amino-1-methylpyrazole-4-carboxylate 64182-19-0 C6H9N3O2
methyl 3-amino-1-methylpyrazole-4-carboxylate
—— 9-(Tetrahydro-2-furyl)-adenine 17318-31-9 C9H11N5O
9-(Tetrahydro-2-furyl)-adenine
—— Pregn-5-en-20-on-3b-yl sulfurate 1247-64-9 C21H32O5S
Pregn-5-en-20-on-3b-yl sulfurate
—— 7-amino-3-(5H-imidazo[1,2-b]pyridazin-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydroiodide 197897-11-3 C14H16IN5O3S
7-amino-3-(5H-imidazo[1,2-b]pyridazin-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydroiodide
—— 25357-79-3 C8H2Br4NaO4
—— 5-Hydroxysalicylate sodium 4955-90-2 C7H6NaO4+
5-Hydroxysalicylate sodium
—— Azido-PEG3-PFP ester 1807530-07-9 C15H16F5N3O5
Azido-PEG3-PFP ester
—— 1-Butyl-3-methylpyridinium triflate 857841-32-8 C11H16F3NO3S
1-Butyl-3-methylpyridinium triflate
—— (1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane 6876-13-7 C10H18
(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
—— (6S)-7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 30246-33-4 C11H12N4O3S3
(6S)-7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
—— 4-[[1-(Anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;bromide 200132-54-3 C37H37BrN2O
4-[[1-(Anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;bromide
—— (1S)-2-azabicyclo[2.2.1]hept-5-en-3-one 130931-83-8 C6H7NO
(1S)-2-azabicyclo[2.2.1]hept-5-en-3-one
—— 3-Aminocyclohexane-1-sulfonic acid 1803562-79-9 C6H13NO3S
3-Aminocyclohexane-1-sulfonic acid
—— (2S)-isopropyl 2-(((perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 1334513-02-8 C18H17F5NO5P
(2S)-isopropyl 2-(((perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate
—— Tris(2,3,5,6-tetramethyl[1,1'-biphenyl]-4-yl)borane 511270-11-4 C48H51B
Tris(2,3,5,6-tetramethyl[1,1'-biphenyl]-4-yl)borane
—— Borane, tris(2,3,5,6-tetramethyl[1,1':4',1''-terphenyl]-4-yl)- 492446-96-5 C66H63B
Borane, tris(2,3,5,6-tetramethyl[1,1':4',1''-terphenyl]-4-yl)-
—— 8-Methyl-4H-1,3-benzodioxin 90674-27-4 C9H10O2
8-Methyl-4H-1,3-benzodioxin
—— Norepinephrine bitartrate salt 3414-63-9 C12H15NO9-2
Norepinephrine bitartrate salt
—— 5-hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanoate 68622-73-1 C20H24O4
5-hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanoate
—— Disodium N-(8-oxido-3,6-disulfonaphthalen-1-yl)benzenecarboximidate 5045-22-7 C17H11NNa2O8S2
Disodium N-(8-oxido-3,6-disulfonaphthalen-1-yl)benzenecarboximidate