4-(1,4-二噁-8-氮杂螺[4.5]-8-癸基)苯甲酸乙酯 | 79421-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(1,4-二噁-8-氮杂螺[4.5]-8-癸基)苯甲酸乙酯
• 英文名称: 4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-benzoic acid ethyl ester
• 英文别名: 1-(4-Ethoxycarbonylphenyl)-4-piperidone ethylene acetal；ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzoate；ethyl 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)benzoate；ethyl 4-(4-(1,3-dioxolyl)piperidin-1-yl)benzoate
• CAS: 79421-38-8
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: WRBNHKJNZOSYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(1,4-二噁-8-氮杂螺[4.5]-8-癸基)苯甲酸乙酯 在 N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 ethyl 1-[4-(4-oxo-1-piperidinyl)benzoyl]-L-leucinate
  参考文献：
  名称：

  (4-Piperidin-1-yl)phenyl Amides:  Potent and Selective Human β₃ Agonists

  摘要：

  In search of potent and selective human beta (3) agonists as potential drugs for the treatment of human obesity and type II diabetes, a series of (4-piperidin-1-yl)phenyl amides was prepared and evaluated for their biological activity on the human beta (3)-adrenergic receptor. The leucine derivative 26e and the reverse amide 33b were found to be the two most potent and selective compounds in this study. With EC50 values of 0.008 and 0.009 muM, respectively, at the beta (3) receptor, nearly completely abolished intrinsic activity at either the beta (1) or beta (2) receptor, and significant thermogenesis effects on human beta (3)-adrenergic receptor transgenic mice, 26e and 33b are among the most potent and selective human beta (3) agonists known to date.

  DOI：

  10.1021/jm000544b
• 作为产物：
  描述：

  对氟苯甲酸乙酯 、 4-哌啶酮缩乙二醇 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(1,4-二噁-8-氮杂螺[4.5]-8-癸基)苯甲酸乙酯
  参考文献：
  名称：

  Heterocyclic beta-3 adrenergic receptor agonists

  摘要：

  这项发明提供了具有结构式I的化合物 1 其中U、V、W、X和Y如前文所定义， 或其药学上可接受的盐，用于治疗或抑制与胰岛素抵抗或高血糖相关的代谢紊乱（通常与肥胖或葡萄糖不耐受有关）、动脉粥样硬化、胃肠道疾病、神经炎症、青光眼、眼压增高和频繁排尿；特别适用于治疗或抑制2型糖尿病。

  公开号：

  US20020028832A1

文献信息

• N-acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020055631A1

  公开（公告）日：2002-05-09

  N-Benzoyl arylsulfonamides having the formula 1 are BCL-Xl inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-Xl inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-Xl抑制剂，有助于促进细胞凋亡。还公开了BCL-Xl抑制组合物和在哺乳动物中促进细胞凋亡的方法。
• N-Acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020086887A1

  公开（公告）日：2002-07-04

  N-Benzoyl arylsulfonamides having the formula 1 Are BCL-X1 inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-X1 inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-X1抑制剂，有助于促进细胞凋亡。还公开了BCL-X1抑制组合物和在哺乳动物中促进细胞凋亡的方法。
• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Kunzer Aaron R.

  公开号：US20100184766A1

  公开（公告）日：2010-07-22

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  公开了抑制抗凋亡Bcl-2蛋白活性的化合物，包含这些化合物的组合物以及治疗表达抗凋亡Bcl-2蛋白疾病的方法。
• Pyrazolo(4,3-c)quinolines
  申请人：American Home Products Corporation

  公开号：US04748246A1

  公开（公告）日：1988-05-31

  There are disclosed compounds of the formula ##STR1## wherein the various substituents are defined hereinbelow, and, by virtue of their ability to inhibit interleukin 1, their use as antiinflammatory agents and in treatment of disease states involving enzymatic tissue destruction.

  公开了具有以下结构的化合物##STR1##其中各种取代基在下文中定义，并且由于它们具有抑制白细胞介素1的能力，因此可用作抗炎药物，用于治疗涉及酶组织破坏的疾病状态。
• 2-Arylbenzo(b)(1,6)naphthyridines as inhibitors of interleukin 1
  申请人：American Home Products Corporation

  公开号：US04808612A1

  公开（公告）日：1989-02-28

  There is disclosed a method for the treatment of inflammatory conditions and of collegenase-induced tissue destruction which comprises the administration of a therapeutically effective amount of a compound of the formula ##STR1## wherein R.sup.1 is phenyl or naphthyl, or phenyl or naphthyl substituted with halo, lower alkyl, lower alkyl carbonyl, benzoyl, carboxy, lower alkoxycarbonyl, OR.sup.2, N(R.sup.2).sub.2, CON(R.sup.2).sub.2, SO.sub.3 R.sup.2, SO.sub.2 N(R.sup.2).sub.2, phenylsulfonyl, lower alkylsulfonyl, cyano nitro or trifluoromethyl; R.sup.2 is hydrogen, lower alkyl or phenyl; R.sup.3 is halo, morpholino, 4-methylpiperazino R.sup.4 NNHR.sup.5, NR.sup.4 R.sup.5, OR.sup.5, SR.sup.5, ##STR2## R.sup.4 is hydrogen or lower alkyl; R.sup.5 is hydrogen, lower alkyl, lower alkanoyl, lower cycloalkyl or phenyl; and R.sup.6 and R.sup.7 are each independently, hydrogen, halo, nitro, lower alkoxy, lower alkyl, cyano, trifluoromethyl, phenyl, carboxy or lower alkoxycarbonyl; which compounds, by virtue of their ability to inhibit interleukin 1, are useful as antiinflammatory agents and in treatment of disease states involving enzymatic tissue destruction, and are also intermediates in the preparation of other compounds which possess identical activities.

  本发明公开了一种用于治疗炎症病症和胶原酶诱导的组织破坏的方法，包括向患者施用化合物的治疗有效量，该化合物的结构如下：其中R.sup.1是苯基或萘基，或带有卤素、较低烷基、较低烷基羰基、苯甲酰基、羧基、较低烷氧羰基、OR.sup.2、N(R.sup.2).sub.2、CON(R.sup.2).sub.2、SO.sub.3R.sup.2、SO.sub.2N(R.sup.2).sub.2、苯基磺酰基、较低烷基磺酰基、氰基、硝基或三氟甲基取代的苯基或萘基；R.sup.2是氢、较低烷基或苯基；R.sup.3是卤素、吗啡啉、4-甲基哌嗪R.sup.4 NNHR.sup.5、NR.sup.4R.sup.5、OR.sup.5、SR.sup.5、以及R.sup.4是氢或较低烷基；R.sup.5是氢、较低烷基、较低烷酰基、较低环烷基或苯基；R.sup.6和R.sup.7各自独立地是氢、卤素、硝基、较低烷氧基、较低烷基、氰基、三氟甲基、苯基、羧基或较低烷氧羰基。这些化合物由于其抑制白细胞介素1的能力，可用作抗炎药物，并用于治疗涉及酶性组织破坏的疾病状态，同时也是制备具有相同活性的其他化合物的中间体。