2-[2-(3-benzothienyl)ethyl]-2,5-diazabicyclo[3.0.4]nonane | 1027541-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2-[2-(3-benzothienyl)ethyl]-2,5-diazabicyclo[3.0.4]nonane
• 英文别名: 1-[2-(1-benzothiophen-3-yl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
• CAS: 1027541-24-7
• 化学式: C₁₇H₂₂N₂S
• 分子量: 286.441
• InChiKey: ILNLOOWGIYLRRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  34.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Aralkyl diaxabicycloalkane derivatives for CNS disorders
  申请人：——

  公开号：US20020045624A1

  公开（公告）日：2002-04-18

  Certain aralkl diazabicycloalkyl compounds are described for treatment of CNS disorders such as cerebral ischemia, psychoses and convulsions. Compounds of particular interest are of the formula: 1 wherein each of R 1 , R 4 , R 5 , R 6 and R 7 is independently selected from hydrido, lower alkyl, benzyl, and haloloweralkyl; wherein each of R 2 , R 3 and R 8 through R 11 is independently selected from hydrido, hydroxy, loweralkyl, benzyl, phenols, benzyloxy and haloloweralkyl; wherein n is an integer of from four to six; wherein m is an integer of from two to four; wherein A is selected from phenyl, naphthyl, benzothienyl, benzofuranyl and thienyl; wherein any of the foregoing A groups can be further substituted with one or more substituents independently selected from hydrido, hydroxy, loweralkyl, loweralkoxy, halo, haloloweralkyl, amino, monoloweralkylamino and diloweralkylamino; or a pharmaceutically acceptable salt thereof.

  本文描述了某些阿拉克尔二氮杂双环烷化合物，用于治疗中枢神经系统疾病，如脑缺血、精神病和抽搐。特别感兴趣的化合物的公式为：1其中R1、R4、R5、R6和R7中的每一个独立选择自氢、低级烷基、苯甲基和卤代低级烷基；其中R2、R3和R8至R11中的每一个独立选择自氢、羟基、低级烷基、苯甲基、酚、苯氧基和卤代低级烷基；其中n为4至6的整数；其中m为2至4的整数；其中A选择自苯基、萘基、苯并噻吩基、苯并呋喃基和噻吩基；其中任何上述A基团都可以进一步用一个或多个取代基独立选择自氢、羟基、低级烷基、低级烷氧基、卤素、卤代低级烷基、氨基、单低级烷基氨基和双低级烷基氨基取代；或其药学上可接受的盐。
• Sigma-2 receptor agonists and their use in the treatment of HIV infection
  申请人：Bowen D. Wayne

  公开号：US20060004036A1

  公开（公告）日：2006-01-05

  The present invention relates to sigma-2 receptor agonists and their use in the treatment of immunodeficiency virus infections, especially human immunodeficiency virus (HIV) infections. The invention particularly relates to sigma-2 agonists, especially CB-184 and its analogues, that decrease cellular production of sphingomyelin when provided to recipient cells, and inhibit HIV replication.

  本发明涉及sigma-2受体激动剂及其在治疗免疫缺陷病毒感染，特别是人类免疫缺陷病毒（HIV）感染中的用途。本发明尤其涉及σ-2激动剂，特别是CB-184及其类似物，当提供给受体细胞时，它们能减少细胞产生鞘磷脂，并抑制HIV的复制。
• US6310064B1
  申请人：——

  公开号：US6310064B1

  公开（公告）日：2001-10-30
• US6656930B2
  申请人：——

  公开号：US6656930B2

  公开（公告）日：2003-12-02
• [EN] ARALKYL DIAZABICYCLOALKANE DERIVATIVES FOR CNS DISORDERS<br/>[FR] DERIVES D'ARALKYLE DIAZABICYCLOALCANE CONTRE DES TROUBLES DU SYSTEME NERVEUX CENTRAL
  申请人：NATIONAL INSTITUTES OF HEALTH

  公开号：WO1994006794A1

  公开（公告）日：1994-03-31

  (EN) Certain aralkyl diazabicycloalkyl compounds are described for treatment of CNS disorders such as cerebral ischemia, psychoses and convulsions. Compounds of particular interest are of formula (II), wherein each of R1, R4, R5, R6 and R7 is independently selected from hydrido, lower alkyl, benzyl, and haloloweralkyl; wherein each of R2, R3 and R8 through R11 is independently selected form hydrido, hydroxy, loweralkyl, benzyl, phenoxy, benzyloxy and haloloweralkyl; wherein n is an integer of from four to six; wherein m is an integer of from two to four; wherein A is selected from phenyl, naphthyl, benzothienyl, benzofuranyl and thienyl; wherein any of the foregoing A groups can be further substituted with one or more substituents independently selected from hydrido, hydroxy, loweralkyl, loweralkoxy, halo, haloloweralkyl, amino, monoloweralkylamino and diloweralkylamino; or a pharmaceutically acceptable salt thereof.(FR) L'invention concerne certains composés d'aralkyle diazabicycloalkyle utilisés dans le traitement de troubles du système nerveux central tels que l'ischémie cérebrale, les psychoses et les convulsions. Les composés présentant un intérêt particulier ont la formule (II), dans laquelle R1, R4, R5, R6 et R7 sont chacun sélectionnés indépendamment parmi hydrido, alkyle inférieur, benzyle et haloalkyle inférieur; dans laquelle R2, R3 et R8 à R11 sont chacun sélectionnés indépendamment parmi hydrido, hydroxy, alkyle inférieur, benzyle, phénoxy, benzyloxy et haloalkyle inférieur; dans laquelle n représente un nombre entier compris entre 4 et 6; m représente un nombre entier compris entre 2 et 4; A est sélectionné parmi phényle, naphtyle, benzothiényle, benzofuranyle et thiényle; n'importe lequel des groupes A précités peut être également substitués par un ou plusieurs substituants sélectionnés indépendamment parmi hydrido, hydroxy, alkyle inférieur, alcoxy inférieur, halo, haloalkyle inférieur, amino, monoalkylalmino inférieur et dialkylamino inférieur; ou bien un sel pharmaceutiquement acceptable desdits composés.