5-N-(2-phenylethyl)aminomethyl-6-phenylmethoxy-1,3-benzodioxole.HCl | 135007-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 5-N-(2-phenylethyl)aminomethyl-6-phenylmethoxy-1,3-benzodioxole.HCl
• 英文别名: 2-phenyl-N-[(6-phenylmethoxy-1,3-benzodioxol-5-yl)methyl]ethanamine;hydrochloride
• CAS: 135007-32-8
• 化学式: C₂₃H₂₃NO₃*ClH
• 分子量: 397.901
• InChiKey: FIRIQSXYNCFQEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  39.7
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Phenylalkyl amine derivatives having anti-ischaemic activity
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0420327A1

  公开（公告）日：1991-04-03

  The invention relates to compounds having anti-ischaemic activity of the formula wherein: -R₁ + R₂ together form an alkylene group having 1-3 C-atoms which may be substituted with one or more alkyl group(s) having 1-3 C-atoms; -Z is methylene optionally substituted with one or two alkyl group(s) having 1-3 C-atoms, or with one phenyl group or phenylalkyl group with 1-3 C-atoms in the alkyl group, which phenyl groups may be substituted with a group (R₆)p wherein R₆ is halogen, hydroxy, alkyl or hydroxyalkyl having 1-5 C-atoms, alkoxy having 1-3 C-atoms, S-alkyl, S(O)-alkyl or S(O)₂-alkyl having 1-3 C-atoms, amino, mono- or dialkylamino having 1-3 C-­atoms per alkyl group, trifluoromethyl, trifluoromethoxy, a sulphonylamido group SO₂NHR or a carbalkoxy group COOR wherein R is alkyl having 1-4 C-­atoms, the group COOH, SO₃H,COHN₂, the amidino group or cyano group, and p has the value 0-3; -R₃ and R₄ independent of each other represent hydrogen, alkyl having 1-10 C-atoms, alkenyl or alkynyl having 3-­10 C-atoms, cycloalkyl having 3-8 C-atoms, cycloalkyl­alkyl having 3-8 ring atoms and 1-5 C-atoms in the alkyl group, phenylalkyl or heteroaryl-alkyl having 1-5 C-­atoms in the alkyl group, phenylalkenyl, heteroaryl­alkenyl, phenylalkynyl or heteroaryl-alkynyl group having 3-5 C-atoms in the alkenyl group or alkynyl group, which groups R₃ and R₄ may be substituted with a group (R₆)p wherein R₆ and p have the above mentioned meanings, or wherein R₃+R₄ together with the nitrogen atom form a saturated or unsaturated heterocyclic group of 5-7 ring atoms, which may contain a second hetero-atom from the group consisting of oxygen, sulphur and nitrogen, which ring may be substituted with a group (R₆)p wherein R₆ and p have the above mentioned meanings, or with phenylalkyl, phenylalkenyl, thienylalkenyl, pyridinylalkenyl, phenylalkynyl, thienylalkynyl or pyridinylalkynyl having at most 3 C-atoms in the alkyl, alkenyl or alkynyl part, which groups may be substituted with a group (R₆)p wherein R₆ and p have the above-mentioned meanings, or which ring may be annelated with a phenyl group; -R₅ is alkyl having 1-12 C-atoms, alkenyl or alkynyl having 3-12 C-atoms, cycloalkyl having 3-8 C-atoms, cycloalkyl-alkyl having 3-8 ring atoms and 1-5 C-atoms in the alkyl group, phenylalkyl or heteroaryl-alkyl having 1-5 C-atoms in the alkyl sub-group, phenylalkenyl, heteroaryl-alkenyl, phenylalkynyl or heteroaryl-alkynyl having 3-5 C-atoms in the alkenyl sub-group or alkynyl sub-group, which groups may be substituted with a group (R₆)p, wherein R₆ and p have the above-mentioned meanings, and which alkyl sub-­groups, alkenyl sub-groups and alkynyl sub-groups may contain a group -O-, -S- or CO, or a pharmacologically acceptable salt thereof.

  本发明涉及具有抗缺血活性的如下式化合物 其中 -R₁ + R₂ 共同形成具有 1-3 个 C 原子的亚烷基，该亚烷基可被一个或多个具有 1-3 个 C 原子的烷基取代； -Z是亚甲基，可任选被一个或两个具有 1-3 个 C 原子的烷基取代，或在烷基中被一个具有 1-3 个 C 原子的苯基或苯基烷基取代，这些苯基可被一个基团（R₆）p 取代，其中 R₆是卤素、羟基、具有 1-5 个 C 原子的烷基或羟基烷基、具有 1-3 个 C 原子的烷氧基、S-烷基、具有 1-3 个 C 原子的 S（O）-烷基或 S（O）₂-烷基、氨基、每个烷基具有 1-3 个 C 原子的单烷基或二烷基氨基、三氟甲基、三氟甲氧基、磺酰胺基 SO₂NHR 或碳烷氧基 COOR，其中 R 是具有 1-4 个 C 原子的烷基、COOH、SO₃H、COHN₂、脒基或氰基，p 的值为 0-3； -相互独立的 R₃ 和 R₄ 代表氢、具有 1-10 个 C 原子的烷基、具有 3-10 个 C 原子的烯基或炔基、具有 3-8 个 C 原子的环烷基、具有 3-8 个环原子且烷基中有 1-5 个 C 原子的环烷基烷基、烷基中有 1-5 个 C 原子的苯基烷基或杂芳基烷基、在烯基或炔基中有 3-5 个 C 原子的苯基烯基、杂芳基烯基、苯基炔基或杂芳 基炔基，其中基团 R₃ 和 R₄ 可被基团 (R₆)p 取代，其中 R₆ 和 p 具有上述含义、或其中的 R₃+R₄ 与氮原子一起形成由 5-7 个环原子组成的饱和或不饱和杂环基团，该杂环基团可包含由氧、硫和氮组成的组中的第二个杂原子，该环可被基团 (R₆)p 取代，其中的 R₆ 和 p 具有上述含义、或苯基烷基、苯基烯基、噻吩基烯基、吡啶基烯基、苯基炔基、噻吩基炔基或吡啶基炔基，其烷基、烯基或炔基部分最多有 3 个 C 原子，这些基团可被基团 (R₆)p 取代，其中 R₆ 和 p 具有上述含义，或该环可被苯基基团环化； -R₅ 是具有 1-12 个 C 原子的烷基、具有 3-12 个 C 原子的烯基或炔基、具有 3-8 个 C 原子的环烷基、具有 3-8 个环原子且在烷基中有 1-5 个 C 原子的环烷基烷基、在烷基亚基中有 1-5 个 C 原子的苯基烷基或杂芳基烷基、苯基烯基、杂芳基烯基、苯基炔基或杂芳基炔基、在烯基亚基团或炔基亚基团中具有 3-5 个 C 原子的苯基炔基或杂芳基炔基，这些基团可被基团 (R₆)p 取代，其中 R₆ 和 p 具有上述含义，烷基亚基团、烯基亚基团和炔基亚基团可含有基团 -O-、-S- 或 CO，或其药理学上可接受的盐。
• US5356891A
  申请人：——

  公开号：US5356891A

  公开（公告）日：1994-10-18