3,3-Dimethyl-9-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene

• 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: 3,3-Dimethyl-9-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene
• 英文别名: 11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
• 化学式: C₁₇H₂₃N
• 分子量: 241.37
• InChiKey: ZVZCYSQBQLWXCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Tetrahydroisoquinolines as selective NADPH oxidase 2 inhibitors
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US10906876B2

  公开（公告）日：2021-02-02

  Embodiments of bridged tetrahydroisoquinolines and methods for their use in selectively inhibiting nicotinamide adenine dinucleotide phosphate (NADPH) oxidase 2 are disclosed. The disclosed compounds have a structure according to general formula I or a pharmaceutically acceptable salt thereof: wherein “” represents a single or double bond, R1 is hydrogen, halogen, lower aliphatic, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; Ra is hydrogen, —CH2R2, R3, or —SO2R4; R2 is lower aliphatic, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; R3 is substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; R4 is lower aliphatic, or substituted or unsubstituted aryl; and R5 is hydrogen, halogen, or lower aliphatic.

  本发明公开了桥式四氢异喹啉的实施方案及其用于选择性抑制烟酰胺腺嘌呤二核苷酸磷酸（NADPH）氧化酶2的方法。所公开的化合物具有通式 I 的结构或其药学上可接受的盐： 其中""代表单键或双键，R1是氢、卤素、低脂族、取代或未取代的芳基或取代或未取代的杂芳基；Ra是氢、-CH2R2、R3或-SO2R4；R2 是低级脂肪族、取代或未取代的芳基、取代或未取代的杂芳基； R3 是取代或未取代的芳基、取代或未取代的杂芳基； R4 是低级脂肪族、取代或未取代的芳基；以及 R5 是氢、卤素或低级脂肪族。
• TETRAHYDROISOQUINOLINES AS SELECTIVE NADPH OXIDASE 2 INHIBITORS
  申请人：PAGANO Patrick J.

  公开号：US20160083351A1

  公开（公告）日：2016-03-24

  Embodiments of bridged tetrahydroisoquinolines and methods for their use in selectively inhibiting nicotinamide adenine dinucleotide phosphate (NADPH) oxidase 2 are disclosed. The disclosed compounds have a structure according to general formula I or a pharmaceutically acceptable salt thereof: wherein “ ” represents a single or double bond, R 1 is hydrogen, halogen, lower aliphatic, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; R a is hydrogen, —CH 2 R 2 , R 3 , or —SO 2 R 4 ; R 2 is lower aliphatic, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; R 3 is substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; R 4 is lower aliphatic, or substituted or unsubstituted aryl; and R 5 is hydrogen, halogen, or lower aliphatic.
• US9796681B2
  申请人：——

  公开号：US9796681B2

  公开（公告）日：2017-10-24