3[4-(3'-chlorophenyl)piperazinyl]-1,2-epoxypropane | 103234-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3[4-(3'-chlorophenyl)piperazinyl]-1,2-epoxypropane
• 英文别名: 4-(3-chlorophenyl)-1-(2,3-epoxypropyl)piperazine；1-(3-chlorophenyl)-4-(oxiran-2-ylmethyl)piperazine
• CAS: 103234-06-6
• 化学式: C₁₃H₁₇ClN₂O
• mdl: MFCD09803996
• 分子量: 252.744
• InChiKey: JAMYYEYFDHJGCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  19
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-溴茶碱 、 3[4-(3'-chlorophenyl)piperazinyl]-1,2-epoxypropane 在 吡啶 作用下， 以 丙醇 为溶剂， 反应 10.0h， 以90%的产率得到7-[4-(-3'-chlorophenyl)-piperazin-1-yl-methylene]-1,3-dimethyl-6,7-dihydro-1,3-oxazolo[2,3-f]-purine-2,4-(1H,3H)-dione
  参考文献：
  名称：

  靶向血清素 5-HT1A/5-HT2A/5-HT7 和多巴胺 D2 受体的 8-烷氧基-嘌呤-2,6-二酮和二氢[1,3]恶唑并[2,3-f]嘌呤二酮的新型芳基哌嗪基烷基衍生物

  摘要：

  为了获得潜在的抗抑郁药和/或抗精神病药，8-烷氧基-嘌呤-2,6-二酮（10-24）和二氢[1,3]恶唑并[2,3-f]的一系列新的长链芳基哌嗪衍生物合成嘌呤二酮 (30-34) 并测定其血清素 (5-HT1A、5-HT2A、5-HT6、5-HT7) 和多巴胺 (D2) 受体亲和力。该研究允许鉴定一些对 5-HT2A 位点具有中等亲和力的有效 5-HT1A/5-HT7/D2 配体。在计算研究中分析了来自两种化学类别（11 和 31）的代表性化合物在 5-HT1A 受体部位的结合模式。在体外功能研究中，选定的化合物 15 和 16 显示出对所评估受体的拮抗特性。8-甲氧基-7-{4-[4-(2-甲氧基苯基)-哌嗪-1-基]-丁基}-1,3-二甲基-嘌呤-2，

  DOI：

  10.1002/ardp.201500015
• 作为产物：
  描述：

  1-(3-氯苯基)哌嗪 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 39.0h， 生成 3[4-(3'-chlorophenyl)piperazinyl]-1,2-epoxypropane
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3

文献信息

• 1-amino-2,3-dihydro-1H-indene compounds
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04788130A1

  公开（公告）日：1988-11-29

  Novel 2,3-dihydro-1H-indene derivatives and salts thereof represented by the general formula (1), ##STR1## [wherein R.sup.1 and R.sup.2 are each a hydrogen atom, a lower alkyl group, a phenyl group which may have halogen atoms and/or alkyl groups as the substituents on the phenyl ring; R.sup.3 is a halogen atom or a lower alkyl group; R.sup.4 is a hydrogen atom, a halogen atom, a phenyl-lower alkyl group, a cycloalkyl-lower alkyl group or the like; R.sup.5 is a hydroxyimino group, an alkylamino group or a group of the formula --NHR.sup.8 (wherein R.sup.8 is a hydrogen atom, a halogen-substituted lower alkanoyl group or the like); R.sup.6 is a hydrogen atom or a phenyl group; and R.sup.7 is a hydrogen atom or a lower alkyl group]. The 2,3-dihydro-1H-indene derivatives and salt thereof are useful as improving agents for treating anoxemic and hypoxic symptoms and syndromes accompanied therewith, cerebral activators, amnesia curative agents, presbyophrenia curative agents, treating agents for breathing arrest and improving agents for hypoxia accompanied with potassium cyanide poisoning, as well as useful as anti-inflammatory agents and hypotensive agents.

  新型2,3-二氢-1H-茚衍生物及其盐由通式（1）表示，其中R.sup.1和R.sup.2分别是氢原子、较低的烷基基团、苯基，苯基上可能有卤原子和/或烷基基团作为取代基；R.sup.3是卤原子或较低的烷基基团；R.sup.4是氢原子、卤原子、苯基-较低烷基基团、环烷基-较低烷基基团或类似物；R.sup.5是羟亚胺基、烷基氨基或式--NHR.sup.8的基团（其中R.sup.8是氢原子、卤代较低脂酰基团或类似物）；R.sup.6是氢原子或苯基；R.sup.7是氢原子或较低的烷基基团。这些2,3-二氢-1H-茚衍生物及其盐可用作改善氧缺和缺氧症状及伴随的综合症的治疗剂、脑活化剂、失忆症治疗剂、老年痴呆症治疗剂、呼吸停止治疗剂和改善氰化钾中毒伴随的低氧症的治疗剂，以及作为抗炎剂和降压剂。
• 2,3-dihydro-1H-indene derivatives
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05242919A1

  公开（公告）日：1993-09-07

  Novel 2,3-dihydro-1H-indene derivatives and salts thereof represented by the general formula (1), ##STR1## [wherein R.sup.1 and R.sup.2 are each a hydrogen atom, a lower alkyl group, a phenyl group which may have halogen atoms and/or alkyl groups as the substituents on the phenyl ring; R.sup.3 is a halgoen atom or a lower alkyl group; R.sup.4 is a hydrogen atom, a halogen atom, a phenyl-lower alkyl group, a cycloalkyl-lower alkyl group or the like; R.sup.5 is a hydroxyimino group, an alkylamino group or a group of the formula --NHR.sup.8 (wherein R.sup.8 is a hydrogen atom, a halogen-substituted lower alkanoyl group or the like); R.sup.6 is a hydrogen atom or a phenyl group; and R.sup.7 is a hydrogen atom or a lower alkyl group]. The 2,3-dihydro-1H-indene derivatives and salt thereof are useful as improving agents for treating anoxemic and hypoxic symptoms and syndromes accompanied therewith, cerebral activators, amnesia curvative agents, presbyophrenia curvative agents, treating agents for breathing arrest and improving agents for hypoxia accompanied with potassium cyanide poisoning, as well as useful an anti-inflammatory agents and hypotensive agents.

  一种由通式（1）表示的新颖的2,3-二氢-1H-茚衍生物及其盐，其中：##STR1## [其中R.sup.1和R.sup.2均为氢原子，较低的烷基，苯基，其苯环上可能有卤原子和/或烷基作为取代基；R.sup.3为卤原子或较低的烷基；R.sup.4为氢原子，卤原子，苯基-较低烷基，环烷基-较低烷基或类似物；R.sup.5为羟肟基，烷基氨基或公式--NHR.sup.8的基团（其中R.sup.8为氢原子，卤代较低脂肪酰基或类似物）；R.sup.6为氢原子或苯基；R.sup.7为氢原子或较低的烷基]。2,3-二氢-1H-茚衍生物及其盐可作为改善治疗缺氧和低氧症状和综合症的剂量，脑活化剂，改善失忆症的剂量，老年痴呆症的治疗剂量，呼吸停止的治疗剂量和改善氰化钾中毒伴随的低氧症的剂量，以及有用的抗炎剂和降压剂。
• 2,3-dihydro-1H-indene derivatives and their use as pharmaceutical agents
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05055474A1

  公开（公告）日：1991-10-08

  Novel 2,3-dihydro-1H-indene derivatives and salts thereof represented by the general formula (1), ##STR1## [wherein R.sup.1 and R.sup.2 are each a hydrogen atom, a lower alkyl group, a phenyl group which may have halogen atoms and/or alkyl groups as the substituents on the phenyl ring; R.sup.3 is a halogen atom or a lower alkyl group; R.sup.4 is a hydrogen atom, a halogen atom, a phenyl-lower alkyl group, a cycloalkyl-lower alkyl group or the like; R.sup.5 is a hydroxyimino group, an alkylamino group or a group of the formula --NHR.sup.8 (wherein R.sup.8 is a hydrogen atom, a halogen-substituted lower alkanoyl group or the like); R.sup.6 is a hydrogen atom or a phenyl group; and R.sup.7 is a hydrogen atom or a lower alkyl group]. The 2,3-dihydro-1H-indene derivatives and salt thereof are useful as improving agents for treating anoxemic and hypoxic symptoms and syndromes accompanied therewith, cerebral activators, amnesia curative agents, presbyophrenia curative agents, treating agents for breathing arrest and improving agents for hypoxia accompanied with potassium cyanide poisoning, as well as useful as anti-inflammatory agents and hypotensive agents.

  通式（1）所表示的新型2,3-二氢-1H-茚衍生物及其盐，其中R1和R2分别是氢原子、低碳基、苯基，苯环上可能有卤素基团和/或烷基基团作为取代基；R3是卤素原子或低碳基；R4是氢原子、卤素原子、苯基-低碳基、环烷基-低碳基或类似物；R5是羟肟基、烷基氨基或公式--NHR8的基团（其中R8是氢原子、卤素取代的低碳酰基基团或类似物）；R6是氢原子或苯基；R7是氢原子或低碳基。这些2,3-二氢-1H-茚衍生物及其盐可作为改善缺氧和低氧症状和综合征的治疗剂、脑活化剂、改善记忆障碍的治疗剂、老年痴呆症的治疗剂、呼吸骤停的治疗剂和改善氰化钾中毒引起的低氧症状的治疗剂，以及作为抗炎剂和降压剂使用。
• 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0173331B1

  公开（公告）日：1991-08-14
• US4788130A
  申请人：——

  公开号：US4788130A

  公开（公告）日：1988-11-29