5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[a,d]环庚烯 | 19660-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: 5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[a,d]环庚烯
• 英文名称: 5-(3-N,N-dimethylaminopropyl)-10,11-dihydro-5H-dibenzocycloheptene
• 英文别名: amitriptilina；amitriptyline；imipramine；5-<ω-(dimethylamino)propyl>dibenzocyclohepta<1,5>dien；5-<3-Dimethylamino-propyl>-dibenzo<1.4>cycloheptadien；5-<3-Dimethylamino-propyl>-10.11-dihydro-5H-dibenzocyclohepten；5H-DIBENZO(a,d)CYCLOHEPTENE-5-PROPYLAMINE, 10,11-DIHYDRO-N,N-DIMETHYL-；N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
• CAS: 19660-95-8
• 化学式: C₂₀H₂₅N
• 分子量: 279.425
• InChiKey: PLDONKUSBQJOGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[a,d]环庚烯 、 二苯并环庚烯酮基氯 生成 去甲替林杂质
  参考文献：
  名称：

  5H Dibenzo[a,d]cycloheptene derivatives

  摘要：

  这段话的中文翻译如下： 5H二苯并[a,d]-环庚烯和10,11-二氢-5H-二苯并[a,d]-环庚烯的化合物，在它们的5-碳原子上用N-氰基氨基丙基或N-氰基氨基丙烯基基团进行取代。

  公开号：

  US03978121A1
• 作为产物：
  描述：

  盐酸阿米替林 在 platinum(IV) oxide 高氯酸 、 氢气 作用下， 生成 5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[a,d]环庚烯
  参考文献：
  名称：

  New Psychotropic Agents. Derivatives of Dibenzo[a,d]-1,4-cycloheptadiene

  摘要：

  DOI：

  10.1021/jo01048a057

文献信息

• Chemical compounds
  申请人：Merck & Co., Inc.

  公开号：US03981917A1

  公开（公告）日：1976-09-21

  This invention relates to new derivatives of dibenzocycloheptenes and to processes for making them. More particularly, the invention includes 5H-dibenzo[a,d]cycloheptenes and 10,11-dihydro-5H-dibenzo[a,d]cycloheptenes which are substituted at their 5-carbon atom with an aminopropyl or an aminopropylidene radical. The amino entity may be either primary or secondary and if secondary, the substituent may be either a lower alkyl or alkenyl radical having up to 6 carbon atoms, cycloalkyl having up to 8 carbon atoms or an aralkyl radical. The dibenzocycloheptene nucleus may be further substituted. The invention also includes the intermediates used for obtaining these products. Also included are derivatives such as acyl derivatives which yield the active compound under physiological conditions.

  本发明涉及新的二苯并环庚烯衍生物及其制备方法。具体而言，本发明包括在其5-碳原子处用氨基丙基或氨基丙基烯基基团取代的5H-二苯并[a，d]环庚烯和10,11-二氢-5H-二苯并[a，d]环庚烯。氨基实体可以是一级或二级的，如果是二级的，则取代基可以是具有高达6个碳原子的较低烷基或烯基基团，具有高达8个碳原子的环烷基或芳基烷基基团。二苯并环庚烯核还可以进一步取代。本发明还包括用于获得这些产品的中间体。还包括产生在生理条件下产生活性化合物的酰衍生物等衍生物。
• 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo
  申请人：Merck & Co., Inc.

  公开号：US04048223A1

  公开（公告）日：1977-09-13

  This invention relates to new derivatives of dibenzocycloheptenes and to processes for making them. More particularly, the invention includes 5H-dibenzo[a,d]-cycloheptenes and 10,11-dihydro-5H-dibenzo[a,d]cycloheptenes which are substituted at their 5-carbon atom with an aminopropyl or an aminopropylidene radical. The amino entity may be either primary or secondary and if secondary, the substituent may be either a lower alkyl or alkenyl radical having up to 6 carbon atoms, cycloalkyl having up to 8 carbon atoms or an aralkyl radical. The dibenzocycloheptene nucleus may be further substituted. The invention also includes the intermediates used for obtaining these products. Also included are derivatives such as acyl derivatives which yield the active compound under physiological conditions.

  本发明涉及新的二苯并环庚烯衍生物及其制备方法。更具体地，本发明包括在它们的5-碳原子上用氨丙基或氨丙基亚基取代的5H-二苯并[a，d]-环庚烯和10,11-二氢-5H-二苯并[a，d]-环庚烯。氨基实体可以是一级或二级的，如果是二级的，则取代基可以是具有6个碳原子以下的较低烷基或烯基基团，具有8个碳原子以下的环烷基或芳基烷基基团。二苯并环庚烯核还可以进一步取代。本发明还包括用于获得这些产物的中间体。还包括酰基衍生物等衍生物，其在生理条件下产生活性化合物。
• A method for treating tension-type headache
  申请人：HEADEXPLORER ApS

  公开号：EP1829539A2

  公开（公告）日：2007-09-05

  Tension-type headache is treated by interacting with neuronal transmission in relation to pain in connection with headache in a way which prevents or decreases sensitization of second order nociceptive neurons. In particular, treatment is performed by administration of an effective amount of a substance which prevents or decreases central sensitization. Important examples of such substances are substances which interact with glutamate neurotransmission, such as glutamate receptor antagonists, such as NMDA receptor antagonists, such as MK-801 or Amitriptylline or Imipramine or Desipramine or Mirtazaprine or Venlafaxine. Other examples are substances which interact with nitric oxide, such as nitric oxide synthase (NOS) inhibitors, such as L-NMMA or L-NAME or L-NIO or L-NNA. According to a broader aspect of the invention tension-type headache is treated by administration of substances which are effective in preventing or decreasing pain in connection with tension-type headache, such as the substances mentioned above. An additional aspect of the invention relates to treatment of tension-type headache by administration of substances which substantially inhibit the activity of nitric oxide synthase (NOS), such as NOS inhibitors, such as L-NMMA or L-NAME or L-NIO or L-NNA.

  治疗紧张型头痛的方法是，与头痛有关的疼痛神经元传递相互作用，防止或减少二阶痛觉神经元的敏化。具体来说，治疗方法是通过施用有效量的物质来防止或减少中枢敏化。这类物质的重要例子是与谷氨酸神经递质相互作用的物质，如谷氨酸受体拮抗剂，如NMDA受体拮抗剂，如MK-801或阿米替林或丙咪嗪或地西普胺或米氮平或文拉法辛。其他例子包括与一氧化氮相互作用的物质，如一氧化氮合酶（NOS）抑制剂，如L-NMMA或L-NAME或L-NIO或L-NNA。根据本发明更广泛的一个方面，治疗紧张型头痛的方法是施用能有效预防或减轻紧张型头痛相关疼痛的物质，如上述物质。本发明的另一个方面涉及通过施用实质上抑制一氧化氮合酶（NOS）活性的物质，如NOS抑制剂，如L-NMMA或L-NAME或L-NIO或L-NNA，来治疗紧张型头痛。
• New Psychotropic Agents. V. Derivatives of 5-Cyano- and 5-Carboxamidodibenzo[a,d]cycloheptadiene
  作者：M. A. Davis、Stanley O. Winthrop、J. Stewart、F. A. Sunahara、F. Herr

  DOI：10.1021/jm00339a008

  日期：1963.5
• Method for treating tension-type headache
  申请人：——

  公开号：US20040097562A1

  公开（公告）日：2004-05-20

  NMDA receptor antagonists, especially mirtazapine, can be used to treat tension-type headaches.