2-[(2-Pyridin-3yl-ethylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino-[2,3-e]indol-8one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 2-[(2-Pyridin-3yl-ethylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino-[2,3-e]indol-8one
• 英文别名: 2-[(2-pyridin-3yl-ethylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one；2-[(2-Pyridin-3-ylethylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: AACXXTPYXFYWHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(2-氨基乙基)吡啶 、 isopropanolic HCl 、 (R)-2-(toluene-4-sulfonyloxymethyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one 、 二氯甲烷 生成 2-[(2-Pyridin-3yl-ethylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino-[2,3-e]indol-8one
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Dioxino derivatives and their use as dopanine agonists
  申请人：Wyeth

  公开号：EP1375503A1

  公开（公告）日：2004-01-02

  The compounds of formula I: wherein R 1 and R2 are, independently, hydrogen, alkyl, phenyl or benzyl; or R 1 and R2, taken together, are benzylidene optionally substituted with R3 as defined below or alkylidene, or R1 and R2, taken together with the carbon to which they are attached, form a carbonyl moiety or a cycloalkyl group; R3 is hydrogen, hydroxy, halo, trifluoromethyl, trifluoromethoxy, alkyl, alkoxy, aralkoxy, alkanoyloxy, amino, mono-or di-alkylamino, alkanamido or alkanesulfonamido; R4 is hydrogen or alkyl; m is an integer 0, 1 or 2; n is an integer from 0 to 6, inclusive; Z is hydrogen, hydroxy, alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, polycyclo-alkyl, phenyl optionally substituted with R3 as defined above, phenoxy optionally substituted with R3 as defined above, naphthyl optionally substituted with R3 as defined above or naphthyloxy optionally substituted with R3 as defined above, heteroaryl or heteroaryloxy, in which the heterocyclic ring of the heteroaryl or heteroaryloxy group is selected from thiophene, furan, pyridine, pyrazine, pyrimidine, indole, indazole, imidazole, chroman, coumarin, carbostyril, quinoline, benzisoxazole, benzoxazole, pyrazole, pyrrole, thiazole, oxazole, or isoxazole and the heterocyclic ring is optionally substituted by R3 as defined above; or a pharmaceutically acceptable salt thereof, are useful in treating disorders of the dopaminergic system.

  式 I 的化合物 其中 R1 和 R2 独立地为氢、烷基、苯基或苄基；或 R1 和 R2 合在一起为可选被下述定义的 R3 取代的亚苄基或亚烷基，或 R1 和 R2 与它们所连接的碳一起形成羰基或环烷基；R3 是氢、羟基、卤代、三氟甲基、三氟甲氧基、烷基、烷氧基、芳烷氧基、烷酰氧基、氨基、单或双烷基氨基、烷氨基或烷磺氨基； R4 是氢或烷基；m 是 0、1 或 2 的整数；n 是 0 至 6（包括 6）的整数；Z 是氢、羟基、烷基、烯基、炔基、烷氧基、环烷基、多环烷基、任选被上 文定义的 R3 取代的苯基、任选被上文定义的 R3 取代的苯氧基、任选被上文定义的 R3 取代的萘基或任选被上文定义的 R3 取代的萘氧基、杂芳基或杂芳氧基、其中杂芳基或杂芳基氧基的杂环选自噻吩、呋喃、吡啶、吡嗪、嘧啶、吲哚、吲哒唑、咪唑、铬烷、香豆素、羧基吡咯、喹啉、苯并异噁唑、苯并噁唑、吡唑、吡咯、噻唑、噁唑或异噁唑，且该杂环任选被如上定义的 R3 所取代；或其药学上可接受的盐，可用于治疗多巴胺能系统疾病。
• US5756532A
  申请人：——

  公开号：US5756532A

  公开（公告）日：1998-05-26
• US5962465A
  申请人：——

  公开号：US5962465A

  公开（公告）日：1999-10-05