[2-(5-chloro-1-oxa-8-thia-3-aza-dibenzo[e,h]azulen-2-ylmethoxy)-ethyl]-dimethyl-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: [2-(5-chloro-1-oxa-8-thia-3-aza-dibenzo[e,h]azulen-2-ylmethoxy)-ethyl]-dimethyl-amine
• 英文别名: [2-(5-chloro-1-oxa-8-thia-3-aza-dibenzo[e,h]azulene-2-ylmethoxy)-ethyl]-dimethylamine；2-[(9-chloro-3-oxa-13-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaen-4-yl)methoxy]-N,N-dimethylethanamine
• 化学式: C₂₀H₁₉ClN₂O₂S
• 分子量: 386.902
• InChiKey: KPFHRNXDBUOCBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 2-bromomethyl-5-chloro-1-oxa-8-thia-3-aza-dibenzo[e,h]azulene 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 4.0h， 生成 [2-(5-chloro-1-oxa-8-thia-3-aza-dibenzo[e,h]azulen-2-ylmethoxy)-ethyl]-dimethyl-amine
  参考文献：
  名称：

  [EN] 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF
  [FR] 1-OXA-3-AZA-DIBENZOAZULENES UTILISES COMME INHIBITEURS DE LA PRODUCTION DU FACTEUR DE NECROSE TUMORALE, ET INTERMEDIAIRES DESTINES A LA PRODUCTION DE CES DERNIERS

  摘要：

  本发明涉及1-氧杂-3-氮杂二苯并蓝类衍生物，其药理学上可接受的盐和溶剂化合物，以及其制备的过程和中间体，特别是其抗炎作用，尤其是对肿瘤坏死因子-α（TNF-α）产生的抑制作用和对白细胞介素-1（IL-1）产生的抑制作用，以及其镇痛作用。

  公开号：

  WO2003084964A1

文献信息

• USE OF 3-AZA-1-OXA-DIBENZO i e,h /i AZULENES FOR TH E MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAS AND DISORDERS
  申请人：PLIVA-ISTRAZIVACKI INSTITUT d.o.o.

  公开号：EP1684766A1

  公开（公告）日：2006-08-02
• USE OF 3-AZA-1-OXA-DIBENZO i e,h /i AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAS AND DISORDERS
  申请人：GlaxoSmithKline istrazivacki centar Zagreb d.o.o.

  公开号：EP1684766B1

  公开（公告）日：2007-06-27
• 3-Aza-1-oxa-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders
  申请人：Mercep Mladen

  公开号：US20070111990A1

  公开（公告）日：2007-05-17

  The present invention relates to the use of compounds from the group of 3-aza-1-oxa-dibenzo[e,h]azulenes and of their pharmacologically acceptable salts and solvates for the use in the treatment and prevention of diseases, damages and disorders of the central nervous system (CNS) caused by disorders of the neurochemical equilibrium of biogenic amines or other neurotransmitters.
• [EN] USE OF 3-AZA-1-OXA-DIBENZO [e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAS AND DISORDERS<br/>[FR] UTILISATION DE 3-AZA-1-OXA-DIBENZO [E,H] AZULENES DANS LA FABRICATION DE FORMULATIONS PHARMACEUTIQUES DESTINEES AU TRAITEMENT ET A LA PREVENTION DES MALADIES ET TROUBLES DU SYSTEME NERVEUX CENTRAL
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005049036A1

  公开（公告）日：2005-06-02

  The present invention relates to the use of compounds from the group of 3-aza-l-oxa­dibenzo[e,h]azulenes and of their pharmacologically acceptable salts and solvates for the manufacture of a pharmaceutical formulation for the treatment and prevention of diseases, damages and disorders of the central nervous system (CNS) caused by disorders of the neurochemical equilibrium of biogenic amines or other neurotransmitters.
• [EN] 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF<br/>[FR] 1-OXA-3-AZA-DIBENZOAZULENES UTILISES COMME INHIBITEURS DE LA PRODUCTION DU FACTEUR DE NECROSE TUMORALE, ET INTERMEDIAIRES DESTINES A LA PRODUCTION DE CES DERNIERS
  申请人：PLIVA D D

  公开号：WO2003084964A1

  公开（公告）日：2003-10-16

  The present invention relates to derivatives of 1-oxa-3-aza-dibenzoazulene class, to their pharmacologically acceptable salts and solvates, to processes and intermediates for the preparation thereof as well as to their antiinflammatory actions, especially to the inhibition of tumour necrosis factor-α (TNF-α) production and the inhibition of interleukin-1 (IL-1) production as well as to their analgetic action.

  本发明涉及1-氧杂-3-氮杂二苯并蓝类衍生物，其药理学上可接受的盐和溶剂化合物，以及其制备的过程和中间体，特别是其抗炎作用，尤其是对肿瘤坏死因子-α（TNF-α）产生的抑制作用和对白细胞介素-1（IL-1）产生的抑制作用，以及其镇痛作用。