2-aminospiro(1,3-oxazoline-5,3')quinuclidine | 138272-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2-aminospiro(1,3-oxazoline-5,3')quinuclidine
• 英文别名: 3'h-4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazole]-5'-amine；spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
• CAS: 138272-87-4
• 化学式: C₉H₁₅N₃O
• 分子量: 181.238
• InChiKey: MBBHQFDWEAGUFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] COMPOSÉ DE QUINUCLIDINE COMME LIGANDS DU RÉCEPTEUR NICOTINIQUE ALPHA-7 DE L'ACÉTYLCHOLINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011053292A1

  公开（公告）日：2011-05-05

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic 7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  该披露提供了公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是烟碱7受体的配体，可能对治疗中枢神经系统的各种紊乱，特别是情感和神经退行性疾病有用。
• Spiro bridged and unbridged heterocyclic compounds
  申请人：ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH

  公开号：EP0452101A2

  公开（公告）日：1991-10-16

  Compounds (I) and (II), including enantiomers, racemates and acid addition and quaternary salts, are for treating diseases of the central and peripheral nervous system, wherein in formula (I) Q is (CH₂)m or C(CH₃)₂ attached to the 1′,4′ or 1′,5′ positions of the six-membered ring (m = 1, 2 or 3,) and in formula (II) Q is two hydrogen atoms, (CH₂)m or C(CH₃)₂(m = 1, 2 or 3) and n and p are each independently 0, 1, 2 or 3, provided that n + p = 1-3; R° is hydrogen, methyl or OH; R and R′ are independently H, NH₂, NH-C₁₋₆-alkyl, N(C₁₋₆-alkyl)₂, C₁₋₆-alkyl, C₂₋₆-alkenyl, C₂₋₆-alkynyl, C₃₋₇-cycloalkyl, C₁₋₆-alkyl substituted by 1-6 halogen atoms, HO- C₁₋₆-alkyl, C₁₋₆-alkoxy, C₁₋₆-alkylthio, C₁₋₆-alkoxy-C₁₋₆-alkyl, carboxy-C₁₋₆-alkyl, (C₁₋₆-alkoxy)carbonyl-C₁₋₆-alkyl, amino-C₁₋₆-alkyl, mono-(C₁₋₆-alkyl)amino-C₁₋₆-alkyl, di-(C₁₋₆-alkyl)amino-C₁₋₆-alkyl, 2-oxo-pyrrolidin-1-yl-methyl, Ar, di(Ar)methylol, or (Ar)₁₋₂C₁₋₆-alkyl, or R′ may be C₁₋₆-alkanoyl or Arcarbonyl; and Ar denotes Ph optionally substituted by 1-3 of halogen, C₁₋₆-alkyl, C₁₋₆-alkoxy and CF₃, subject to certain provisos.

  化合物(I)和(II)，包括对映体、外消旋体、酸加成盐和季盐，用于治疗中枢和外周神经系统疾病、 其中，式（I）中 Q 是 (CH₂)m 或 C(CH₃)₂，连接在六元环的 1′,4′或 1′,5′位置上（m = 1、2 或 3、在式 (II) 中，Q 是两个氢原子、(CH₂)m 或 C(CH₃)₂(m = 1、2 或 3)，n 和 p 各自独立地为 0、1、2 或 3，条件是 n + p = 1-3；R° 是氢、甲基或 OH； R 和 R′各自独立地为 H、NH₂、NH-C₁₋₆-烷基、N(C₁₋₆-烷基)₂、C₁₋₆-烷基、C₂₋₆-烯基、C₂₋₆-炔基、C₃₋₇-环烷基、被 1-6 个卤素原子取代的 C₁₋₆- 烷基、HO- C₁₋₆- 烷基、C₁₋₆-烷氧基、C₁₋₆-烷硫基、C₁₋₆-烷氧基-C₁₋₆-烷基、羧基-₁₋₆-烷基、(C₁₋₆-烷氧基)羰基-₁₋₆-烷基、氨基-₁₋₆-烷基、单-(C₁₋₆-烷基)氨基-₁₋₆-烷基、二-(C₁₋₆-烷基)氨基-C₁₋₆-烷基、2-氧代吡咯烷-1-基-甲基、Ar、二(Ar)甲醇或(Ar)₁₋₂C₁₋₆-烷基，或 R′可以是 C₁₋₆- 烷酰基或 Arcarbonyl；Ar 表示被 1-3 个卤素、C₁₋₆-烷基、C₁₋₆-烷氧基和 CF₃ 任选取代的 Ph，但有某些但书。
• QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2271650A1

  公开（公告）日：2011-01-12
• US5053412A
  申请人：——

  公开号：US5053412A

  公开（公告）日：1991-10-01
• [EN] QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] COMPOSÉS DE QUINUCLIDINE EN TANT QUE LIGANDS DES RÉCEPTEURS ?-7 NICOTINIQUES DE L'ACÉTYLCHOLINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009131926A1

  公开（公告）日：2009-10-29

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic α 7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.