2-(N,N-Dimethylamino)methyl-6-(3'-nitrobiphenyl-4-yl)methoxytetralin Hydrochloride | 212571-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(N,N-Dimethylamino)methyl-6-(3'-nitrobiphenyl-4-yl)methoxytetralin Hydrochloride
• 英文别名: N,N-dimethyl-1-[6-[[4-(3-nitrophenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
• CAS: 212571-28-3
• 化学式: C₂₆H₂₈N₂O₃*ClH
• 分子量: 452.981
• InChiKey: DFBIUCJZSWAKBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  58.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Amine compounds, their production and use
  申请人：——

  公开号：US20040077867A1

  公开（公告）日：2004-04-22

  A compound of the formula: 1 wherein Ar is an aromatic ring assembly group which may be substituted or a fused aromatic group which may be substituted; X is (i) a bond, (ii) —S—, —SO— or —SO 2 —, (iii) C 1-6 alkylene, C 2-6 alkenylene or C 2-6 alkynylene, etc., (iv) —CO—O— or (v) —(CH 2 )p-X 1 —, —(CH 2 )p-X 1 —CH 2 )q-, —(CH 2 )r-CO—X 1 —, —SO 2 —NR 8 — or —(CH 2 )r-SO 2 —NR 8 — wherein X 1 is O or NR 8 , R 8 is H, a hydrocarbon group which may be substituted or an acyl, p is 0 to 5, q is 1 to 5, p+q is 1 to 5, and r is 1 to 4; Y is a divalent C 1-6 aliphatic hydrocarbon group optionally containing O or S, which may be substituted; R 1 and R 2 each is H or a lower alkyl which may be substituted, or R 1 and R 2 form a N-containing heterocyclic ring which may be substituted; Ring A is a benzene ring which may be further substituted; and Ring B is a 4- to 8-membered ring which may be further substituted, or a salt thereof has the effect of inhibiting amyloid-&bgr; protein production and/or secretion and is useful as a pharmaceutical composition for preventing and/or treating the neurodegenerative disease, etc.

  化合物的公式为1，其中Ar是芳香环组装基团，可以是取代的或融合的芳香族基团，X是(i)键，(ii) -S-, -SO-或-SO2-, (iii) C1-6烷基，C2-6烯基或C2-6炔基等，(iv) -CO-O-或(v) -(CH2)p-X1-，-( )p-X1- )q-，-( )r-CO-X1-，-SO2-NR8-或-( )r-SO2-NR8-其中X1是O或NR8，R8是H，可以是取代的碳氢基团或酰基，p为0至5，q为1至5，p+q为1至5，r为1至4；Y是二价的C1-6脂肪烃基团，可以包含O或S，可以是取代的；R1和R2分别是H或可以取代的低碳烷基，或R1和R2形成一个可以取代的含氮杂环；环A是苯环，可以进一步取代；环B是4-至8成员环，可以进一步取代，或其盐具有抑制淀粉样-β蛋白产生和/或分泌的作用，并且作为预防和/或治疗神经退行性疾病的药物组成物有用。
• AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP0971878B1

  公开（公告）日：2008-03-26
• US6310107B1
  申请人：——

  公开号：US6310107B1

  公开（公告）日：2001-10-30
• US7256204B2
  申请人：——

  公开号：US7256204B2

  公开（公告）日：2007-08-14