1-丙酸哌嗪 | 21043-42-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-丙酸哌嗪
• 英文名称: 1-cycloheptylpiperazine
• 英文别名: cycloheptylpiperazine；1-cycloheptyl-piperazine；1-Cycloheptyl-piperazin
• CAS: 21043-42-5
• 化学式: C₁₁H₂₂N₂
• 分子量: 182.309
• InChiKey: CHSINHUYLALJPT-UHFFFAOYSA-N

物化性质

• 沸点：
  68 °C
• 密度：
  0.952±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-丙酸哌嗪 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 4.0~20.0 ℃ 、413.7 kPa 条件下， 反应 8.5h， 生成 [2-amino-4-((4-(cycloheptyl)piperazin-1-yl)methyl)thiophen-3-yl](4-chlorophenyl)methanone
  参考文献：
  名称：

  Structure–activity relationships of 2-amino-3-aroyl-4-[(4-arylpiperazin-1-yl)methyl]thiophenes. Part 2: Probing the influence of diverse substituents at the phenyl of the arylpiperazine moiety on allosteric enhancer activity at the A1 adenosine receptor

  摘要：

  In a preliminary article, we reported the potent allosteric enhancer activity at the AI adenosine receptor of a small series of 2-amino-3-(4-chlorobenzoyl)-4[4-(aryl)piperazin-1-yl)methyl]thiophene derivatives bearing electron-withdrawing or electron-releasing groups at the para-position of the phenylpiperazine moiety. In the present study, we report the development of the compounds previously studied by modifying both the number and position of substituents on the phenylpiperazine moiety, aimed at establishing a structure-activity relationship identifying additional compounds with improved activity.The nature and the position of substituents on the phenyl ring tethered to the piperazine seemed to exert a fundamental influence on the allosteric enhancer activity, with the 3,4-difluoro 4i, 3-chloro-4-fluoro 4o, and 4-trifluoromethoxy 4ak derivatives being the most active compounds in binding (saturation and competition experiments) and functional cAMP studies. This study shows that it is also possible to obtain a good separation between allosteric enhancement and antagonistic activity at the A(1) adenosine receptor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.044
• 作为试剂：
  描述：

  1-丙酸哌嗪 、 在 1-丙酸哌嗪 作用下， 以99的产率得到
  参考文献：
  名称：

  Physiologically active substances

  摘要：

  本发明涉及一种化合物，其表示为公式（I）： 其中，R3、R6、R7和R21相同或不同，每个代表羟基等，以及其药学上可接受的盐或水合物。本发明的化合物（I）抑制血管生成，特别是在低氧条件下抑制VEGF的产生，可用作治疗实体癌的治疗剂。

  公开号：

  US07619100B2

文献信息

• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• 4-[[3-[.alpha.-Aminobenzyl]phenyl]methyl]morpholine and
  申请人：Sterling Drug Inc.

  公开号：US04308382A1

  公开（公告）日：1981-12-29

  N-2, 3- and 4-[R.sub.1 -(phenyl)-C(=X)]-phenyl-lower-alkyl}amines, useful as anti-inflammatory agents, are prepared either by reduction of 2-, 3- or 4-[R.sub.1 -(phenyl)-CO]-phenyl-lower-alkanoylamines, which are also useful as anti-inflammatory agents; by benzoylating a phenyl-lower-alkylamine; by reaction of a 2-, 3- or 4-lithiophenyl-lower-alkylamine with a R.sub.1 -(phenyl)-carboxaldehyde, a R.sub.1 -(phenyl)-lower-alkyl ketone or a R.sub.1 -(phenyl)-carbonitrile; by reaction of a 2-, 3- or 4-[R.sub.1 -(phenyl)-CO]-phenyl-lower-alkyl tosylate with an appropriate amine; or by transformations involving manipulations of a carbonyl or carbinol group.

  N-2, 3-和4-[R1-(苯基)-C(=X)]-苯基-低碳烷基}胺，作为抗炎药很有用，可以通过还原2-, 3-或4-[R1-(苯基)-CO]-苯基-低碳烷酰胺来制备，这些低碳烷酰胺作为抗炎药也很有效；通过苯甲酰化苯基-低碳烷基胺；通过与R1-(苯基)-甲酰甲醛、R1-(苯基)-低碳烷基酮或R1-(苯基)-腈的2-, 3-或4-锂苯基-低碳烷基胺反应；通过与适当胺的2-, 3-或4-[R1-(苯基)-CO]-苯基-低碳烷基甲磺酸酯反应；或者通过涉及羰基或甲醇基团操纵的转化来制备。
• Intermediates for preparing anti-inflammatory phenyl-lower-alkylamines
  申请人：Sterling Drug Inc.

  公开号：US04216326A1

  公开（公告）日：1980-08-05

  N-3- and 4-[R.sub.1 -(phenyl)-C(.dbd.X)]-phenyl-lower-alkyl}amines, useful as anti-inflammatory agents, are prepared either by reduction of 3- or 4-[R.sub.1 -(phenyl)-CO]-phenyl-lower-alkanoylamines, which are also useful as anti-inflammatory agents; by benzoylating a phenyl-lower-alkylamine; by reaction of a 3- or 4-lithiophenyl-lower-alkylamine with a R.sub.1 -(phenyl)-carboxaldehyde, a R.sub.1 -(phenyl)-lower-alkyl ketone or a R.sub.1 -(phenyl)-carbonitrile or by transformations involving manipulations of a carbonyl or carbinol group.

  N-3-和4-[R1-(苯基)-C(=X)]-苯基-低碳烷基}胺，作为抗炎药有效，可以通过还原3-或4-[R1-(苯基)-CO]-苯基-低碳烷酰胺制备，后者也作为抗炎药有效；通过苯甲酰化苯基-低碳烷基胺；通过与R1-(苯基)-甲醛、R1-(苯基)-低碳烷基酮或R1-(苯基)-腈的3-或4-锂苯基-低碳烷基胺反应，或者通过涉及羰基或甲醇基团操纵的转化来制备。
• PROCESS FOR PRODUCING MACROLIDE COMPOUND AND INTERMEDIATE THEREFOR
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2168961A1

  公开（公告）日：2010-03-31

  The present invention provides a method for producing a 12-membered ring macrolide compound expected as a prophylactic or therapeutic agent for solid tumors and the like, and a production intermediate thereof. In detail, by acetalizing hydroxyl groups at 6- and 7-positions of a 12-membered ring macrolide compound being a raw material with dialkyl tin (IV) oxide and, after that, reacting the product with a carbamoyl halide derivative, the 7-position urethane derivative of the 12-membered ring macrolide compound being the target is effectively produced, without protecting hydroxyl groups at other positions.

  本发明提供了一种生产预期作为固体肿瘤等疾病的预防或治疗剂的12元环大环内酯化合物的方法，以及其生产中间体。具体而言，通过将作为原料的12元环大环内酯化合物的6-和7-位置的羟基与二烷基锡（IV）氧化物缩醛化，然后将产物与氨基甲酰卤衍生物反应，有效地生产了目标为12元环大环内酯化合物的7-位置脲酯衍生物，而无需保护其他位置的羟基。
• Discovery of 1-(β-amino substituted-β-alanyl)-N,N-dimethylindoline-2-carboxamides as novel nonpeptide antagonists of nociceptin/orphanin FQ receptor: Efficient design, synthesis, and structure–activity relationship studies
  作者：Shigeo Hayashi、Katsuyo Ohashi、Eriko Nakata、Chie Emoto

  DOI：10.1016/j.ejmech.2012.07.021

  日期：2012.9

  Since the discovery of endogenous nociceptin/orphanin FQ (N/OFQ) peptide and N/OFQ peptide (NOP) receptor [or opioid-receptor-like-1 (ORL1) receptor], the structures, distribution, and pharmacology have been reported in detail. N/OFQ and NOP receptor are located in the corticolimbic regions that are involved in the integration of the emotional activity, and located in the spinal cord, the peripheral

  自从发现内源性伤害感受器/孤儿蛋白FQ（N / OFQ）肽和N / OFQ肽（NOP）受体[或阿片受体样1（ORL1）受体]以来，已经报道了其结构，分布和药理学细节。N / OFQ和NOP受体位于参与情绪活动整合的皮层区，并位于脊髓，周围神经系统或其他与疼痛以及尿液信号传递相关的周围组织中，其模式不同于啮齿动物或灵长类动物中的经典阿片肽及其受体。此外，N / OFQ-NOP受体系统在各种人类生理机能的调节中起着重要作用，例如抑郁症效应，食欲亢进效应和血压效应。在这项研究中，N，N-二甲基二氢吲哚-2-羧酰胺在体外进行了研究，以阐明鉴定和开发有效和选择性NOP受体拮抗剂的结构要求，从而发现了1- 3- [4-（取代苯基）哌啶-1-基]酰基]丙酰基} -N，N-二甲基二氢吲哚-2-羧酰胺类似物，其显示有效的和选择性的人NOP（hNOP）受体结合亲和力和有效的hNOP受体拮抗剂活性。有效和选择