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(+/-) 5-(2-Methyl-1.2.3-triazole-4-yl)-1-azabicyclo-[3.2.1]octane | 142483-37-2

中文名称
——
中文别名
——
英文名称
(+/-) 5-(2-Methyl-1.2.3-triazole-4-yl)-1-azabicyclo-[3.2.1]octane
英文别名
5-(2-Methyl-1,2,3-triazol-4-yl)-1-azabicyclo-[3.2.1]octane;5-(2-methyltriazol-4-yl)-1-azabicyclo[3.2.1]octane
(+/-) 5-(2-Methyl-1.2.3-triazole-4-yl)-1-azabicyclo-[3.2.1]octane化学式
CAS
142483-37-2
化学式
C10H16N4
mdl
——
分子量
192.264
InChiKey
NPLDJYAXTQQUGB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1
  • 重原子数:
    14
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    34
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    参考文献:
    名称:
    Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands
    摘要:
    The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl-, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands ha, been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and tetrazol-2-yl-based muscarinic receptor ligands has yielded a series of novel compounds with high potencies and efficacies, ranging from full agonists to antagonists. Small lipophilic electron withdrawing substituents give potent but low efficacy compounds, while small polar electron donating substituents give potent and efficacious compounds. The activity of these compounds is described in terms of a model of the receptor involving lipophilic and hydrogen bonding interactions. These compounds provide muscarinic ligands with high potency and a range of efficacies suitable for testing as candidate drugs in the treatment of Alzheimer's disease.
    DOI:
    10.1021/jm00091a007
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文献信息

  • Azabicyclic compounds for treating dementia
    申请人:Beecham Group p.l.c.
    公开号:US05217975A1
    公开(公告)日:1993-06-08
    A compound of formula (I) useful for treating dementia or a pharmaceutically acceptable salt thereof: ##STR1## in which one of X and Y represents hydrogen and the other represents Z, where Z is a group in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises two or three nitrogen atoms, any amino nitrogen being substituted by a C.sub.1-2 alkyl, cyclopropyl or propargyl group, r represents the integer of 2 or 3, s represents an integer of 1 or 2 and t represents 0, with the proviso that when Y is hydrogen s is 1.
    一种化合物的分子式(I),或其药学上可接受的盐,可用于治疗痴呆症:##STR1## 其中X和Y中的一个表示氢,另一个表示Z,其中Z是一个基团,其中Q表示完成5-成员芳香环的3-成员二价残基,并包括两个或三个氮原子,任何氨基氮均被C.sub.1-2烷基,环丙基或丙炔基取代,r表示2或3的整数,s表示1或2的整数,t表示0,但当Y为氢时,s为1。
  • Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them
    申请人:Beecham Group p.l.c.
    公开号:EP0402056A2
    公开(公告)日:1990-12-12
    A compound of formula (I) or a pharmaceutically acceptable salt thereof: in which one of X and Y represents hydrogen and the other represents Z, where Z is a group in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises two or three nitrogen atoms, any amino nitrogen being substituted by a C1-2 alkyl, cyclopropyl or propargyl group, r represents an integer of 2 or 3, s represents an integer of 1 or 2 and t represents 0 or 1, with the proviso that when Y is hydrogen s is 1.
    式 (I) 的化合物或其药学上可接受的盐: 其中 X 和 Y 的一个代表氢,另一个代表 Z,其中 Z 是一个基团 其中 Q 代表完成五元芳香环的三元二价残基,包含两个或三个氮原子,任何氨基氮均被 C1-2 烷基、环丙基或丙炔基取代,r 代表 2 或 3 的整数,s 代表 1 或 2 的整数,t 代表 0 或 1,但当 Y 为氢时,s 为 1。
  • JPH0327377A
    申请人:——
    公开号:JPH0327377A
    公开(公告)日:1991-02-05
  • US5217975A
    申请人:——
    公开号:US5217975A
    公开(公告)日:1993-06-08
  • Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands
    作者:Sarah M. Jenkins、Harry J. Wadsworth、Steven Bromidge、Barry S. Orlek、Paul A. Wyman、Graham J. Riley、Julie Hawkins
    DOI:10.1021/jm00091a007
    日期:1992.6
    The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl-, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands ha, been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and tetrazol-2-yl-based muscarinic receptor ligands has yielded a series of novel compounds with high potencies and efficacies, ranging from full agonists to antagonists. Small lipophilic electron withdrawing substituents give potent but low efficacy compounds, while small polar electron donating substituents give potent and efficacious compounds. The activity of these compounds is described in terms of a model of the receptor involving lipophilic and hydrogen bonding interactions. These compounds provide muscarinic ligands with high potency and a range of efficacies suitable for testing as candidate drugs in the treatment of Alzheimer's disease.
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