ethyl 2-(2-chloro-5-hydroxybenzyl)-3-(3-methyl-1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propanoate | 866028-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: ethyl 2-(2-chloro-5-hydroxybenzyl)-3-(3-methyl-1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propanoate
• 英文别名: ethyl 2-[(2-chloro-5-hydroxyphenyl)methyl]-3-(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propanoate
• CAS: 866028-59-3
• 化学式: C₂₅H₃₀ClNO₄
• 分子量: 443.97
• InChiKey: KLFIUWDPLYZVGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists
  申请人：Hashizume Yoshinobu

  公开号：US20050277659A1

  公开（公告）日：2005-12-15

  This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 independently represent a hydrogen atom or the like; R 3 represents an aryl group having from 6 to 10 ring atoms or the like; X represents an oxygen atom, or the like; Y represents an oxygen atom or the like; and n represents an integer 0, 1 or 2. These compounds have ORL 1 -receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  本发明提供了式（I）的化合物：或其药学上可接受的酯，或其药学上可接受的盐，其中R1和R2分别独立地表示氢原子或类似物；R3表示具有6至10个环原子或类似物的芳基基团；X表示氧原子或类似物；Y表示氧原子或类似物；n表示整数0、1或2。这些化合物具有ORL1受体拮抗活性；因此，它们可用于治疗疾病或病症，例如疼痛，各种中枢神经系统疾病等。
• Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as orl1-receptor antagonists
  申请人：Hashizume Yoshinobu

  公开号：US20070197500A1

  公开（公告）日：2007-08-23

  This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 independently represent a hydrogen atom or the like; R 3 represents a hydrogen atom, or the like; R 4 represents a hydrogen atom or the like; (formula II) represents one of the following or the like; R 5 represents an aryl group having from 6 to 10 ring atoms or the like; X represents an oxygen atom, or the like; Y represents an oxygen atom or the like and n represents an integer 0, 1 or 2. These compounds have ORL1-receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  本发明提供了以下化合物的公式(I)、其药学上可接受的酯或其药学上可接受的盐，其中R1和R2独立地表示氢原子或类似物；R3表示氢原子或类似物；R4表示氢原子或类似物；(公式II)代表以下之一或类似物；R5表示具有6至10个环原子的芳基基团或类似物；X表示氧原子或类似物；Y表示氧原子或类似物，n表示整数0、1或2。这些化合物具有ORL1受体拮抗活性；因此，它们对于治疗疾病或症状，如疼痛、各种中枢神经系统疾病等非常有用。
• 2-ethylidene-19-nor-vitamin D compounds
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：EP1524264A2

  公开（公告）日：2005-04-20

  Biologically active 19-nor vitamin D analogs substituted at C-2 in the A-ring with an ethylidene group. These compounds have preferential activity on mobilising calcium from bone and either high or normal intestinal calcium transport activity which allows their in vivo administration for the treatment of metabolic bone diseases where bone loss is a major concern. These compounds are also characterised by high cell differentiation activity.

  具有生物活性的 19-nor 维生素 D 类似物，其 A 环的 C-2 位被亚乙基取代。这些化合物具有从骨骼中动员钙的优先活性，以及较高或正常的肠道钙转运活性，因此可用于治疗骨质流失是主要问题的代谢性骨病。这些化合物还具有高细胞分化活性的特点。
• 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds
  申请人：——

  公开号：US20030013691A1

  公开（公告）日：2003-01-16

  Biologically active 19-nor vitamin D analogs substituted at C-2 in the A-ring with an ethylidene or an ethyl group. These compounds have preferential activity on mobilizing calcium from bone and either high or normal intestinal calcium transport activity which allows their in vivo administration for the treatment of metabolic bone diseases where bone loss is a major concern. These compounds are also characterized by high cell differentiation activity.

  具有生物活性的 19-nor 维生素 D 类似物，其 A 环的 C-2 位被亚乙基或乙基取代。这些化合物具有从骨骼中动员钙的优先活性和较高或正常的肠道钙转运活性，因此可以在体内施用，用于治疗骨质流失是主要问题的代谢性骨病。这些化合物还具有高细胞分化活性的特点。
• 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds
  申请人：DeLuca F. Hector

  公开号：US20050043281A1

  公开（公告）日：2005-02-24

  Biologically active 19-nor vitamin D analogs substituted at C-2 in the A-ring with an ethylidene or an ethyl group. These compounds have preferential activity on mobilizing calcium from bone and either high or normal intestinal calcium transport activity which allows their in vivo administration for the treatment of metabolic bone diseases where bone loss is a major concern. These compounds are also characterized by high cell differentiation activity.

  具有生物活性的 19-nor 维生素 D 类似物，其 A 环的 C-2 位被亚乙基或乙基取代。这些化合物具有从骨骼中动员钙的优先活性，以及较高或正常的肠道钙转运活性，因此可以在体内施用，用于治疗骨质流失是主要问题的代谢性骨病。这些化合物还具有高细胞分化活性的特点。