2-methyl-4-naphthalen-2-yl-7-[6-(trifluoromethyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-methyl-4-naphthalen-2-yl-7-[6-(trifluoromethyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
• 化学式: C₂₅H₂₀F₃N₃
• 分子量: 419.4
• InChiKey: IQPAQAKZZDXSPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN
  申请人：Albany Molecular Research, Inc.

  公开号：US20140243524A1

  公开（公告）日：2014-08-28

  The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3-a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R 14 ; with R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 14 defined herein.

  本发明的化合物由公式（I）中的化学结构表示：其中：指定*的碳原子处于R或S构型；且X是从苯并呋喃基，苯并[b]噻吩基，苯并异噻唑基，苯并异恶唑基，吲哚基，吲哚基，异吲哚基，吲哚并吡嗪基，苯并咪唑基，苯并恶唑基，苯并噻唑基，苯并三唑基，咪唑并[1,2-a]吡啶基，吡唑并[1,5-a]吡啶基，[1,2,4]三唑并[4,3-a]吡啶基，噻吩并[2,3-b]吡啶基，噻吩并[3,2-b]吡啶基，1H-吡咯并[2,3-b]吡啶基，茚基，茚基，二氢苯并环庚基，四氢苯并环庚基，二氢苯并噻吩基，二氢苯并呋喃基，吲哚啉基，萘基，四氢萘基，喹啉基，异喹啉基，4H-喹啉基，9aH-喹啉基，喹唑啉基，茜啶基，邻苯二酚基，喹喔啉基，苯并[1,2,3]三唑基，苯并[1,2,4]三唑基，2H-香豆素基，4H-香豆素基，或者是一个融合的双环碳环或融合的双环杂环，可选地带有在R14中定义的取代基（1至4个）；其中R1，R2，R3，R4，R5，R6，R7，R8和R14在此处定义。
• ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN
  申请人：Albany Molecular Research, Inc.

  公开号：EP1778639B1

  公开（公告）日：2015-09-02
• US8741901B2
  申请人：——

  公开号：US8741901B2

  公开（公告）日：2014-06-03
• US9085531B2
  申请人：——

  公开号：US9085531B2

  公开（公告）日：2015-07-21