[(3R)-3-(isoquinolin-6-yloxy)-3-phenyl-propyl]-methyl-amine hydrochloride | 695228-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: [(3R)-3-(isoquinolin-6-yloxy)-3-phenyl-propyl]-methyl-amine hydrochloride
• 英文别名: (3R)-3-isoquinolin-6-yloxy-N-methyl-3-phenylpropan-1-amine;hydrochloride
• CAS: 695228-77-4
• 化学式: C₁₉H₂₀N₂O*ClH
• 分子量: 328.842
• InChiKey: CNJIZXGOLCGPBA-FSRHSHDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  34.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors
  申请人：Boulet Louis Serge

  公开号：US20060058360A1

  公开（公告）日：2006-03-16

  There is provided a heretoaryloxy/thio 3-substituted propanamine compound of formula (I) wherein A is selected from —)— and —S—; X is selected from phenyl optionally substituted with up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl and C 1 -C 4 alkoxy, thienyl optionally substituted with up to 3 substituents each independently selected from halo and C 1 -C 4 alkyl, and C 2 -C 8 alkyl, C 2 -C 8 alkenyl, C 3 -C 8 cycloalkyl and C 4 -C 8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl —S(O) n — where n is 0, 1 or 2, —CF 3 , —CN and —CONH 2 ; Y is selected from dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, and thienopyridyl, each of which may be optionally substituted with up to 4 or, where possible, up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2 , nitro acetyl, —CF 3 , —SCF 3 and cyano; Z is selected from H, OR 3 or F, wherein R 3 is selected from H, C 1 -C 6 alkyl and phenyl C 1 C 6 alkyl; R 1 and R 2 are each independently H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts thereof.

  提供了一种公式（I）的取代了3-氨基丙烷基的heretoaryloxy/thio化合物，其中A选自—）—和—S—; X选自苯基，其可选地被最多5个取代基独立地选自卤素、C1-C4烷基和C1-C4烷氧基取代，噻吩基，其可选地被最多3个取代基独立地选自卤素和C1-C4烷基取代，以及C2-C8烷基，C2-C8烯基，C3-C8环烷基和C4-C8环烷基烷基，每个基团可选地被最多3个取代基独立地选自卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基—S（O）n—其中n为0,1或2，—CF3，—CN和—CONH2; Y选自二氢苯并噻吩基，苯并噻唑基，苯并异噻唑基，喹啉基，异喹啉基，萘啉基和噻吩吡啶基，每个基团可选地被最多4个或，如果可能，最多5个取代基独立地选自卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n—其中n为0,1或2，硝基乙酰基，— ，—S 和氰基; Z选自H，OR3或F，其中R3选自H，C1-C6烷基和苯基C1C6烷基; R1和R2各自独立地为H或C1-C4烷基;以及其药学上可接受的盐。
• PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1567501B1

  公开（公告）日：2006-10-25
• US7410982B2
  申请人：——

  公开号：US7410982B2

  公开（公告）日：2008-08-12