2-(4-Nitro-benzyl)-pent-4-enoic acid | 177707-19-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-(4-Nitro-benzyl)-pent-4-enoic acid
• 英文别名: 2-(4-Nitrobenzyl)pent-4-enoic acid；2-[(4-nitrophenyl)methyl]pent-4-enoic acid
• CAS: 177707-19-6
• 化学式: C₁₂H₁₃NO₄
• 分子量: 235.24
• InChiKey: JOWRILXHCXUOQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Nitro-benzyl)-pent-4-enoic acid 在 palladium on activated charcoal 4-二甲氨基吡啶 、 sodium hydroxide 、 三氟甲磺酸 、 叠氮磷酸二苯酯 、 氢气 、 苄基三丁基氯化铵 、 碳酸氢钠 作用下， 以 盐酸 、 甲醇 、 二氯甲烷 、 水 、 三乙胺 、 甲苯 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  SAR of 2-benzyl-4-aminopiperidines NK1 antagonists. Part 21. synthesis of CGP 49823

  摘要：

  CGP 49823 is a potent NK1 antagonist which is centrally active after oral administration. The SAR of the C-2 substituent was investigated with respect to the affinity to the NK1 receptor. A practical synthesis of CGP 49823, suitable for scale-up, was developed. The key-step, a tandem acyliminium ion cyclization / Ritter reaction, gave trans 2-benzyl-4-acetamido-piperidines with high diastereoselectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00563-x
• 作为产物：
  描述：

  烯丙基丙二酸二乙酯 在 sodium hydroxide 、 硫酸 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 2-(4-Nitro-benzyl)-pent-4-enoic acid
  参考文献：
  名称：

  SAR of 2-benzyl-4-aminopiperidines NK1 antagonists. Part 21. synthesis of CGP 49823

  摘要：

  CGP 49823 is a potent NK1 antagonist which is centrally active after oral administration. The SAR of the C-2 substituent was investigated with respect to the affinity to the NK1 receptor. A practical synthesis of CGP 49823, suitable for scale-up, was developed. The key-step, a tandem acyliminium ion cyclization / Ritter reaction, gave trans 2-benzyl-4-acetamido-piperidines with high diastereoselectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00563-x

文献信息

• Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof
  申请人：——

  公开号：US20020107248A1

  公开（公告）日：2002-08-08

  Substituted indenyl sulfonyl acetic acids are useful in the treatment of precancerous lesions.

  取代的茚基磺酰乙酸在治疗癌前病变方面是有用的。
• 1-acyl-4-aliphatylaminopiperidine compounds
  申请人：Novartis Finance Corporation

  公开号：US05935951A1

  公开（公告）日：1999-08-10

  The invention relates to novel 1-acyl-4-aliphatylaminopiperidine compounds of ##STR1## formula (I), in which R.sub.1 is a benzoyl, naphthoyl or cycloalkanoyl radical which is unsubstituted or substituted by lower alkyl, lower alkoxy, halogen and/or trifluoromethyl; R.sub.2 is cycloalkyl or a phenyl or naphthyl radical which is unsubstituted or substituted by lower alkyl, lower alkoxy, halogen, nitro, cyano and/or trifluoromethyl; R.sub.3 and R.sub.4 together are lower alkylene or aza-, oxa- or thia-lower alkylene; or R.sub.3 is lower alkyl, lower alkoxy-lower alky, di-lower alkylamino-lower alkyl or a radical of the formula --(CH.sub.2).sub.n --C(.dbd.O)--R.sub.5 (Ia); and R.sub.4 is hydrogen, lower alkyl or a radical of the formula --(CH.sub.2).sub.n --C(.dbd.O)--R.sub.5 (Ia); R.sub.5 is (i) hydrogen, alkyl or alkyl which is substituted by halogen, lower alkoxy amino or amino substituted by lower alkyl, amino-lower alkyl, mono- or di-lower alkylaminoalkyl, lower alkanoyl, lower alkoxycarbonyl or lower alkylene or aza-, oxa- or thia-lower alkylene, (ii) hydroxyl, cycloalkoxy, lower alkoxy or lower alkoxy which is substituted by lower alkoxy, amino or amino substituted by lower alkyl, amino-lower alkyl, mono- or di-lower alkylamino-alkyl, lower alkanoyl, lower alkoxycarbonyl or lower alkylene or aza-, oxa- or thia-lower alkylene, or (iii) amino or amino substituted by lower alkyl, cycloalkyl, amino-lower alkyl, mono- or di-lower alkylaminoalkyl, lower alkanoyl, lower alkoxycarbonyl or lower alkylene or aza-, oxa- or thia-lower alkylene; X.sub.1 is methyelene, ethylene, a direct bond; a free or ketalized carbonyl group or a free or etherified hydroxymethylene group and n is 0 or 1, and their salts, processes for the preparation of the compounds according to the invention, pharmaceutical compositions containing these and their use as pharmaceutical active ingredients.

  本发明涉及一种新型1-酰基-4-脂肪基氨基哌啶化合物，其化学式为##STR1##其中R.sub.1为苯甲酰基、萘甲酰基或环烷酰基，未取代或取代为较低的烷基、较低的烷氧基、卤素和/或三氟甲基；R.sub.2为环烷基或未取代或取代为较低的烷基、较低的烷氧基、卤素、硝基、氰基和/或三氟甲基的苯基或萘基基团；R.sub.3和R.sub.4一起为较低的烷基或氮、氧或硫-较低的烷基，或R.sub.3为较低的烷基、较低的烷氧基-较低的烷基、二较低的烷基氨基-较低的烷基或式的基团--(CH.sub.2).sub.n --C(.dbd.O)--R.sub.5（Ia）；而R.sub.4为氢、较低的烷基或式的基团--(CH.sub.2).sub.n --C(.dbd.O)--R.sub.5（Ia）；R.sub.5为（i）氢、烷基或经卤素、较低的烷氧基、氨基或被较低的烷基取代的氨基、氨基-较低的烷基、单-或二-较低的烷基氨基烷基、较低的烷酰基、较低的烷氧羰基或较低的烷基或氮、氧或硫-较低的烷基取代的较低的烷氧基、（ii）羟基、环烷氧基、较低的烷氧基或被较低的烷氧基、氨基或被较低的烷基取代的氨基、氨基-较低的烷基、单-或二-较低的烷基氨基烷基、较低的烷酰基、较低的烷氧羰基或较低的烷基或氮、氧或硫-较低的烷基取代的较低的烷氧基、或（iii）氨基或被较低的烷基取代的氨基、环烷基、氨基-较低的烷基、单-或二-较低的烷基氨基烷基、较低的烷酰基、较低的烷氧羰基或较低的烷基或氮、氧或硫-较低的烷基取代的较低的烷氧基；X.sub.1为亚甲基、乙烯基、直接键；自由或酯化羰基团或自由或醚化羟甲基团，n为0或1，以及它们的盐、制备这些化合物的方法、含有它们的制药组合物和作为制药活性成分的用途。
• Aroyl-piperidine derivatives
  申请人：Novartis Corporation

  公开号：US05965562A1

  公开（公告）日：1999-10-12

  The invention relates to novel N-(3,5-bis-trifluoromethyl-benzoyl)-2-benzyl-4-(azanaphthoyl-amino)-piperi dines of the formula ##STR1## wherein X and Y are each independently of the other N and/or CH and the ring A is unsubstituted or mono- or poly-substituted by substituents selected from the group consisting of lower alkyl, lower alkoxy, halogen, nitro and trifluoromethyl; and the salts thereof, to the use thereof, to processes for the preparation thereof and to pharmaceutical compositions comprising a compound according to the invention or a pharmaceutically acceptable salt thereof.

  该发明涉及一种新型的N-(3,5-双三氟甲基苯甲酰基)-2-苄基-4-(氮杂萘甲酰氨基)-哌啶类化合物，其化学式为##STR1## 其中X和Y各自独立地为N和/或CH，环A未取代或取代基选择自下列群体中的低烷基、低烷氧基、卤素、硝基和三氟甲基；以及该化合物的盐、使用方法、制备方法和包含该化合物或其药学上可接受的盐的药物组成物。
• Esters and amides of substituted indenyl acetic acids
  申请人：FGN, INC.

  公开号：EP0485172A2

  公开（公告）日：1992-05-13

  Esters and amides of substituted indenyl acetic acids of the formula : n is an integer of at least 2 ; Q is a deprotonated residue of polymer or macromolecular structure having a molecular weight of at least about 1000 containing at least two primary and/or secondary amino groups and/or hydroxy groups ; R1 is selected from hydrogen, lower alkyl, or haloalkyl ; R2 is selected from hydrogen or alkyl ; R3 and R4 are one or more members each independently chosen from hydrogen, alkyl, acyloxy, alkoxy, nitro, amino, acylamino, alkylamino, diakylamino, dialkylaminoalkyl, sulfamyl, alkythio, mercapto, hydroxy, hydroxyalkyl, alkylsulfonyl, halogen, cyano, carboxyl, carbalkoxy, carbamido, haloalkyl or cycloalkoxy ; and R5 is selected from alkylsulfenyl, alkylsulfinyl or alkylsulfonyl. are useful in the treatment of colonic polyps.

  式中的取代茚基乙酸的酯和酰胺： n 至少为 2 的整数； Q 是聚合物或大分子结构的去质子化残基，分子量至少约为 1000，含有至少两个伯氨基和/或仲氨基和/或羟基； R1 选自氢、低级烷基或卤代烷基； R2 选自氢或烷基； R3 和 R4 是各自独立选自氢、烷基、酰氧基、烷氧基、硝基、氨基、酰氨基、烷基氨基、二烷基氨基、二烷基氨基烷基、氨基磺酰基、烷硫基、巯基、羟基、羟烷基、烷基磺酰基、卤素、氰基、羧基、羰基烷氧基、氨基甲酰基、卤代烷基或环烷氧基的一个或多个成员；和 R5 选自烷基亚磺酰基、烷基亚磺酰基或烷基磺酰基。
• Substituted indenyl compounds
  申请人：FGN, INC.

  公开号：EP0508586A1

  公开（公告）日：1992-10-14

  Substituted indenyl sulfonyl acetic acids are seful in the treatment of precancerous lesions.

  取代的茚磺酰基乙酸可用于治疗癌前病变。