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5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸 | 763114-26-7

物质功能分类

有机原料 - 有机氟化合物 - 氟苯甲酸系列

分子结构分类

有机化合物 - 有机杂环化合物 - 二氮杂萘

中文名称

5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸

中文别名

2-氟-5-((4-氧代-3,4-二氢二氮杂萘-1-基)甲基)苯甲酸

英文名称

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

英文别名

2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid；5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoic acid；2-fluoro-5-[(4-oxo-3,4-dihydrophthalazine-1-yl)methyl]benzoic acid

CAS

763114-26-7

化学式

C₁₆H₁₁FN₂O₃

mdl

——

分子量

298.273

InChiKey

PAXLJNGPFJEKQX-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.42

计算性质

辛醇/水分配系数(LogP)：

2.2
重原子数：

22
可旋转键数：

3
环数：

3.0
sp3杂化的碳原子比例：

0.06
拓扑面积：

78.8
氢给体数：

2
氢受体数：

5

安全信息

海关编码：

2933990090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H302,H315,H319,H335
储存条件：

存储条件：室温、干燥且密封。

SDS

SDS：15b1b7ade7adf0b335696c10732129bd

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制备方法与用途

用途

5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸是用于合成酞菁酮支架的中间体。酞菁酮支架是聚（ADP-核糖）聚合酶的有效抑制剂，并且在抗癌作用显著的异碘衍生物的设计中扮演重要角色。

应用

该化合物作为有机合成中间体和医药中间体，主要用于实验室研发过程以及生物化工生产过程中。

制备 化合物3的制备

将甲酸钠(1g, 0.018mol) 和甲醇(16ml) 加入圆底烧瓶中，搅拌，降温至0℃后，逐滴加入亚磷酸二甲酯(2.1ml, 0.022mol)，滴完后，在15min之内，慢慢加入邻羧基苯甲醛(2.2g, 0.014mol)。升温至室温，反应4h，然后在10min内逐滴加入甲磺酸(1.3ml, 0.019mol)，搅拌，减压浓缩至干。

加入20ml水，用二氯甲烷萃取，收集二氯甲烷层，用无水Na₂SO₄干燥。过滤后减压浓缩，得到白色固体（产率为91％）。

化合物4的制备

将化合物3(2.6g, 0.011mol) 和2-氟-5-甲酰基苯甲酸(2.1g，0.012mol) 溶于无水四氢呋喃(25ml) 中，冷却至0℃。慢慢滴加三乙胺(1.0ml, 0.007mol)，滴完后升至室温反应5h，然后慢慢升高温度至70℃，加入水合肼(5.1ml, 0.107mol)反应3h。降至室温，加入适量2mol/L盐酸调节pH至酸性，不再析出固体为止。

抽滤，产物用水和乙酸乙酯洗涤，烘干得黄色固体（产率为83％）。

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲腈	2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile	1021298-68-9	C₁₆H₁₀FN₃O	279.273
——	4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one	1062292-60-7	C₁₅H₁₀BrFN₂O	333.16

下游产品

中文名称	英文名称	CAS号	化学式	分子量
1-[5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酰基]哌嗪	4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one	763111-47-3	C₂₀H₁₉FN₄O₂	366.395
——	4-[[3-(4-benzoylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one	1070772-16-5	C₂₇H₂₃FN₄O₃	470.503
——	4-[[3-(4-ethylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one	848136-32-3	C₂₂H₂₃FN₄O₂	394.449
奥拉帕尼杂质58	4-[[3-(4-acetylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one	848136-41-4	C₂₂H₂₁FN₄O₃	408.432
——	4-[4-fluoro-3-[(4-hydroxypiperidin-1-yl)carbonyl]benzyl]phthalazin-1(2H)-one	1174043-15-2	C₂₁H₂₀FN₃O₃	381.407
——	N-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperidin-4-one	——	C₂₁H₁₈FN₃O₃	379.391
——	4-[[4-fluoro-3-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone	763111-49-5	C₂₁H₂₁FN₄O₂	380.422
——	4-[[4-fluoro-3-(4-propanoylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	——	C₂₃H₂₃FN₄O₃	422.459
4-[4-氟-3-[(4-甲氧基哌啶-1-基)羰基]苄基]酞嗪-1(2H)-酮	4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone	1174043-16-3	C₂₂H₂₂FN₃O₃	395.433
——	4-(3-(4-ethoxypiperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-20-9	C₂₃H₂₄FN₃O₃	409.46
——	4-(4-fluoro-3-(4-isopropoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-43-6	C₂₄H₂₆FN₃O₃	423.487
——	4-(4-fluoro-3-(4-(2-methoxyethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-34-5	C₂₄H₂₆FN₃O₄	439.487
——	4-[[4-fluoro-3-(4-prop-2-enoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	1174043-46-9	C₂₄H₂₄FN₃O₃	421.471
——	4-(3-(4-tert-butoxypiperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2h)-one	1174043-85-6	C₂₅H₂₈FN₃O₃	437.514
——	4-(3-(4-(difluoromethoxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-47-0	C₂₂H₂₀F₃N₃O₃	431.414
——	1-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoyl]piperidin-4-carboxylic acid	763114-28-9	C₂₂H₂₀FN₃O₄	409.417
4-[2-氟-5-[(4-氧代-3,4-二氢酞嗪-1-基)甲基]苯甲酰基]哌嗪-1-羧酸叔丁酯	tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate	763114-04-1	C₂₅H₂₇FN₄O₄	466.512
——	4-[[4-fluoro-3-(4-methoxy-4-methylpiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	1174043-49-2	C₂₃H₂₄FN₃O₃	409.46
——	4-(3-(4-(2-(dimethylamino)ethoxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-96-9	C₂₅H₂₉FN₄O₃	452.529
——	4-(3-(5-benzyloctahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1616890-67-5	C₂₉H₂₇FN₄O₂	482.557
——	2-(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperidin-4-yloxy)acetic acid	1174043-98-1	C₂₃H₂₂FN₃O₅	439.443
——	4-[[3-(4-acetyl-1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one	1070772-08-5	C₂₃H₂₃FN₄O₃	422.459
奥拉帕尼	olaparib	763113-22-0	C₂₄H₂₃FN₄O₃	434.47
——	(S)-4-(4-fluoro-3-(4-(1-methoxypropan-2-yloxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-99-2	C₂₅H₂₈FN₃O₄	453.513
——	4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-68-5	C₂₆H₂₈FN₃O₃	449.525
——	4-(4-fluoro-3-(4-(2-(piperidin-1-yl)ethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174044-07-5	C₂₈H₃₃FN₄O₃	492.593
——	4-(3-(4-(1,3-difluoropropan-2-yloxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-64-1	C₂₄H₂₄F₃N₃O₃	459.468
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)propane-1,2-dione	1379676-73-9	C₂₃H₂₁FN₄O₄	436.443
——	4-(4-fluoro-3-(4-(2-(pyrrolidin-1-yl)ethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174044-05-3	C₂₇H₃₁FN₄O₃	478.567
——	4-(4-fluoro-3-(4-(2-morpholinoethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-94-7	C₂₇H₃₁FN₄O₄	494.566
——	2-(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperidin-4-yloxy)-N,N-dimethylacetamide	1174043-95-8	C₂₅H₂₇FN₄O₄	466.512
——	4-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	848135-70-6	C₂₄H₂₁FN₆O₂	444.468
——	4-[[4-fluoro-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	848135-88-6	C₂₆H₂₃FN₄O₂	442.493
——	4-[[4-fluoro-3-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1174043-48-1	C₂₆H₂₈FN₃O₄	465.524
——	4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one	1070772-21-2	C₂₆H₂₇FN₄O₃	462.524
——	4-(4-fluoro-3-(4-(2-oxo-2-(piperidin-1-yl)ethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1 (2H)-one	1174044-06-4	C₂₈H₃₁FN₄O₄	506.577
——	4-[[4-fluoro-3-[4-(3-methoxyphenoxy)piperidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1174043-35-6	C₂₈H₂₆FN₃O₄	487.531
——	4-(4-fluoro-3-(4-(2-oxo-2-(pyrrolidin-1-yl)ethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174044-04-2	C₂₇H₂₉FN₄O₄	492.55
——	4-[[3-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one	1070772-22-3	C₂₇H₂₉FN₄O₃	476.551
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)propane-1,2-dione	1379676-75-1	C₂₄H₂₃FN₄O₄	450.469
N-叔-丁基氧羰基氨基KU-0058948	tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepane-1-carboxylate	874116-49-1	C₂₆H₂₉FN₄O₄	480.539
——	4-(4-fluoro-3-(4-(2-morpholino-2-oxoethoxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-93-6	C₂₇H₂₉FN₄O₅	508.549
——	4-(3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-74-3	C₂₂H₂₃N₃O₃	377.443
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-3,3-dimethylbutane-1,2-dione	1379676-64-8	C₂₆H₂₇FN₄O₄	478.523
——	tert-butyl 1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)-methyl)benzoyl)-1,7-diazaspiro[3.5]nonane-7-carboxylate	——	C₂₈H₃₁FN₄O₄	506.577
——	4-(3-(4-ethoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-73-2	C₂₃H₂₅N₃O₃	391.47
——	4-(3-(4-(2-(3,3-difluoroazetidin-1-yl)-2-oxoethoxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	1174043-97-0	C₂₆H₂₅F₃N₄O₄	514.504
——	(4-(3-(4-((2-methylpropan-2-yl)oxy)piperidine-1-carbonyl)phenyl)methyl)-2H-phthalazin-1-one	1174043-86-7	C₂₅H₂₉N₃O₃	419.524
——	4-[[4-fluoro-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	1070772-11-0	C₂₅H₂₂FN₅O₂	443.48
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-2-phenylethane-1,2-dione	1379676-62-6	C₂₈H₂₃FN₄O₄	498.513
——	4-[[4-fluoro-3-[4-(oxolane-3-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1070772-25-6	C₂₅H₂₅FN₄O₄	464.496
——	1-cyclopropyl-2-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)ethane-1,2-dione	1379676-53-5	C₂₅H₂₃FN₄O₄	462.48
——	4-(3-(7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	——	C₂₆H₂₅FN₄O₃	460.508
——	4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one	1174043-69-6	C₂₆H₂₉N₃O₃	431.535
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1 -yl)methyl)benzoyl)-1 ,4-diazepan-1-yl)-3,3-dimethylbutane-1,2-dione	1379676-65-9	C₂₇H₂₉FN₄O₄	492.55
——	4-[[4-fluoro-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1070772-23-4	C₂₅H₂₅FN₄O₄	464.496
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)-2-phenylethane-1,2-dione	1379676-66-0	C₂₉H₂₅FN₄O₄	512.54
——	1-cyclopropyl-2-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl) ethane-1,2-dione	1379676-60-4	C₂₆H₂₅FN₄O₄	476.507
——	2-fluoro-N-(3-oxo-1,2-dihydroinden-1-yl)-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide	1428123-30-1	C₂₅H₁₈FN₃O₃	427.435
——	2-fluoro-N-(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide	1428123-35-6	C₂₅H₁₉FN₄O₃	442.449
——	4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358714-88-1	C₂₂H₁₈FN₅O₂	403.416
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-2-(furan-2-yl)ethane-1,2-dione	1379676-69-3	C₂₆H₂₁FN₄O₅	488.475
——	4-[[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358714-84-7	C₂₃H₁₉FN₄O₂	402.428
——	4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358715-14-6	C₂₁H₁₇FN₆O₂	404.403
——	1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)-2-(furan-2-yl)ethane-1,2-dione	1379676-67-1	C₂₇H₂₃FN₄O₅	502.502
——	2-fluoro-N-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide	1428123-34-5	C₂₆H₂₀FN₃O₃	441.462
——	(1S,4S)-tert-butyl 5-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-2,5-diazabicyclo[2,2,1]heptane-2-carboxylate	1379676-57-9	C₂₆H₂₇FN₄O₄	478.523
——	4-(4-fluoro-3-(2-isopropyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-5-carbonyl)benzyl)phthalazin-1(2H)-one	1616891-07-6	C₂₄H₂₂FN₅O₂	431.469
——	4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358715-11-3	C₂₁H₁₇FN₆O₂	404.403
——	4-(4-fluoro-3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-ylcarbonyl)benzyl)phthalazin-1(2H)-one	1174043-41-4	C₂₈H₂₄FN₃O₃	469.515
——	1-cyclopropyl-2-((1S,4S)-5-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-2,5-diazabicyclo[2,2,1]heptan-2-yl)ethane-1,2-dione	1379676-56-8	C₂₆H₂₃FN₄O₄	474.491
——	2,4-dinitrophenyl 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-benzoyl]piperazine-1-yl-1-ium-1,2-diolate	1431328-64-1	C₂₆H₂₁FN₈O₈	592.5
——	4-[[4-fluoro-3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1358715-05-5	C₂₃H₁₇F₄N₅O₂	471.414
——	4-[[4-fluoro-3-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1358715-33-9	C₂₃H₁₈F₄N₆O₂	486.429
——	4-[[3-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358715-26-0	C₂₂H₁₇F₃N₆O₂	454.411
——	2-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one	1428123-14-1	C₂₇H₂₁FN₄O₃	468.487
——	4-[[3-(2-amino-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one	1428123-29-8	C₂₇H₂₃FN₄O₂	454.504
——	2-fluoro-N-[2-oxo-2-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)ethyl]-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide	1428123-18-5	C₂₉H₂₄FN₅O₄	525.539
——	1-((1S,4S)-5-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)ethane-1,2-dione	1379676-71-7	C₂₇H₂₁FN₄O₅	500.486
——	4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1358714-82-5	C₂₂H₁₆F₄N₆O₂	472.402
——	dimethylamino-[5-[[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium	1431328-66-3	C₂₈H₂₆FN₁₁O₁₀	695.581
——	4-[[4-fluoro-3-(2-hydroxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	1428123-27-6	C₂₇H₂₂FN₃O₃	455.488
——	4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one	1358714-91-6	C₂₃H₁₇F₄N₅O₂	471.414
——	fluzoparib	1358715-18-0	C₂₂H₁₆F₄N₆O₂	472.402
——	5-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one	1428123-26-5	C₂₇H₂₀FN₃O₃	453.473
——	tert-butyl 2-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxylate	1428123-48-1	C₃₂H₃₁FN₄O₄	554.621
——	4-[[4-fluoro-3-(2-fluoro-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one	1428123-28-7	C₂₇H₂₁F₂N₃O₂	457.479
——	2-[1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperidine-4-carbonyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one	1428123-20-9	C₃₃H₃₀FN₅O₄	579.631
——	ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate	1358715-08-8	C₂₅H₂₂FN₅O₄	475.479
——	2-[1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]pyrrolidine-2-carbonyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one	1428123-19-6	C₃₂H₂₈FN₅O₄	565.604
——	7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonitrile	1358715-31-7	C₂₄H₁₆F₄N₆O₂	496.424
——	4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one	1358715-02-2	C₂₃H₁₆BrF₄N₅O₂	550.31

反应信息

作为反应物：

描述：

5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸在 N,N-二异丙基乙胺、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下，以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 N,N-二甲基甲酰胺为溶剂，反应 148.0h，生成 1-((1S,4S)-5-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)ethane-1,2-dione

参考文献：

名称：

HETEROCYCLIC DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF

摘要：

揭示了杂环衍生物，制备方法，含有它们的组合物以及它们的用途。特别地，揭示了它们作为PARP抑制剂的药用。

公开号：

US20130224107A1
作为产物：

描述：

邻苯二甲酸二甲酯在盐酸、 sodium methylate 、一水合肼作用下，以水、甲苯为溶剂，反应 18.0h，生成 5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸

参考文献：

名称：

一种4-取代基甲基-1-(2H)酞嗪酮的简便制备方法

摘要：

本发明涉及一种4‑取代基甲基‑1‑(2H)酞嗪酮(Ⅰ)的简便制备方法。该方法利用二G取代基苯(Ⅱ)和式Ⅲ化合物于溶剂A和碱存在下缩合，水解得到式Ⅳ化合物，然后式Ⅳ化合物或式Ⅳ化合物的酯化产物和水合肼缩合制备4‑(吡啶‑4‑基)甲基‑1‑(2H)酞嗪酮(ⅠA)或4‑(4‑氟‑3‑羧基苯基)甲基‑1‑(2H)酞嗪酮(ⅠB)，可用于制备瓦他拉尼和奥拉帕尼。本发明工艺流程简捷，反应重现性高，易于操作，产品稳定性好，纯度高。

公开号：

CN110143945B

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文献信息

[EN] PROCESS FOR THE PREPARATION OF OLAPARIB AND POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'OLAPARIB ET DE LEURS POLYMORPHES

申请人：ALEMBIC PHARMACEUTICALS LTD

公开号：WO2017191562A1

公开（公告）日：2017-11-09

The present invention is directed to process for preparation of Olaparib of formula (I). The present invention further relates to novel polymorphic forms of Olaparib, pharmaceutical compositions containing them, and method of treatment using the same.

本发明涉及一种制备化学式（I）的奥拉帕尼的方法。本发明还涉及奥拉帕尼的新型多形态形式，包含它们的药物组合物，以及使用它们的治疗方法。
[EN] TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE<br/>[FR] INHIBITEURS TRICYCLIQUES DE POLY(ADP-RIBOSE)POLYMÉRASE

申请人：NEWGEN THERAPEUTICS INC

公开号：WO2012166983A1

公开（公告）日：2012-12-06

The invention provides for compositions comprising phosphorous containing tricyclic compounds, including phthalazin-l(2H)-one derivatives. The compounds are potent inhibitors of the enzyme poly(ADP-ribose)polymerase (PARP), particularly PARP-1 and potentially PARP-2. The also show good cellular activity in inhibiting poly(ADP- ribose) oligomer formation. The compounds may be useful as mono-therapy or in combination with other therapeutic agents in the treatment conditions where PARP is implicated, such as cancer, inflammatory diseases and ischemic conditions. Thus, also provided are methods for the treatment of a condition where PARP is implicated comprising administering to an effective amount of a compound of the invention to an individual in need thereof.

该发明提供了包含含磷三环化合物的组合物，包括邻苯二氮杂吲哚酮衍生物。这些化合物是酶聚(腺苷二磷酸核糖)聚合酶（PARP）的有效抑制剂，特别是PARP-1和潜在的PARP-2。它们还显示出在抑制聚(腺苷二磷酸核糖)寡聚物形成方面具有良好的细胞活性。这些化合物可能在单独治疗或与其他治疗剂联合治疗PARP参与的疾病条件中发挥作用，如癌症、炎症性疾病和缺血性疾病。因此，还提供了一种治疗PARP参与的疾病条件的方法，包括向需要的个体施用该发明化合物的有效量。
PARP-1和Tankyrase1/2多靶点抑制剂、其制法及用途

申请人：中国药科大学

公开号：CN108358850B

公开（公告）日：2021-01-26

本发明涉及药物化学领域，具体涉及一类含有酞嗪‑1(2H)‑酮结构的PARP‑1和tankyrase1/2多靶点抑制剂(I)，它们的制备方法，以及含有这些化合物的药物组合物及其在抗肿瘤方面的用途。
PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF

申请人：Tang Peng Cho

公开号：US20130131068A1

公开（公告）日：2013-05-23

A phthalazinone ketone derivative as represented by formula (I), a preparation method thereof, a pharmaceutical composition containing the derivative, a use thereof as a poly (ADP-ribose) polymerase (PARP) inhibitor, and a cancer treatment method thereof are described.

一种以化学式(I)表示的邻苯二氮酮酮衍生物，其制备方法，含有该衍生物的药物组合物，其作为聚(ADP-核糖)聚合酶（PARP）抑制剂的用途，以及其癌症治疗方法被描述。
[EN] ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS<br/>[FR] COMPOSÉS CIBLANT DES RÉCEPTEURS HORMONAUX NUCLÉAIRES ANTICANCÉREUX

申请人：NUVATION BIO INC

公开号：WO2020232119A1

公开（公告）日：2020-11-19

The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation.

该披露涉及从核类固醇受体结合物中衍生的抗癌化合物，以及含有这些化合物的产品，以及它们的使用和制备方法。