dimethyl (6-(1H-imidazol-1-yl)pyrimidin-4-yl)carbonimidodithioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: dimethyl (6-(1H-imidazol-1-yl)pyrimidin-4-yl)carbonimidodithioate
• 英文别名: N-(6-imidazol-1-ylpyrimidin-4-yl)-1,1-bis(methylsulfanyl)methanimine
• 化学式: C₁₀H₁₁N₅S₂
• 分子量: 265.363
• InChiKey: CRWYBGYWZOQCRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-3-(aminomethyl)quinuclidin-3-ol dihydrochloride 、 dimethyl (6-(1H-imidazol-1-yl)pyrimidin-4-yl)carbonimidodithioate 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以83%的产率得到(3R)-N-[6-(1H-咪唑-1-基)-4-嘧啶基]螺[1-氮杂双环[2.2.2]辛烷-3,5-'(4'H)-噁唑]-2'-胺
  参考文献：
  名称：

  JP5714745

  摘要：

  公开号：
• 作为产物：
  描述：

  二硫化碳 、 6-(1H-imidazol-1-yl)pyrimidin-4-amine 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以77%的产率得到dimethyl (6-(1H-imidazol-1-yl)pyrimidin-4-yl)carbonimidodithioate
  参考文献：
  名称：

  BMS-933043, a Selective α7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia

  摘要：

  The therapeutic treatment of negative symptoms and cognitive dysfunction associated with schizophrenia is a significant unmet medical need. Preclinical literature indicates that a? neuronal nicotinic acetylcholine (nACh) receptor agonists may provide an effective approach to treating cognitive dysfunction in schizophrenia. We report herein the discovery and evaluation of 1c (BMS-933043), a novel and potent alpha 7 nACh receptor partial agonist with high selectivity against other nicotinic acetylcholine receptor subtypes (>100-fold) and the 5-HT3A receptor (>300-fold). In vivo activity was demonstrated in a preclinical model of cognitive impairment, mouse novel object recognition. BMS-933043 has completed Phase I clinical trials.

  DOI：

  10.1021/acsmedchemlett.7b00032

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。
• Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands
  申请人：Cook, II James H.

  公开号：US20100099684A1

  公开（公告）日：2010-04-22

  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 α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本公开提供公式I的化合物，包括其盐，以及使用这些化合物的组合物和方法。这些化合物是尼古丁α7受体的配体，可能对中枢神经系统的各种疾病，特别是情感和神经退行性疾病的治疗有用。
• Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands
  申请人：Bristol-Myers Squibb Company

  公开号：US08309577B2

  公开（公告）日：2012-11-13

  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 α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本披露提供了I式化合物及其盐，以及使用这些化合物的组合物和方法。这些化合物是尼古丁α7受体的配体，可用于治疗各种中枢神经系统疾病，特别是情感和神经退行性疾病。
• QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150094309A1

  公开（公告）日：2015-04-02

  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 α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本公开提供I式化合物及其盐，以及使用该化合物的组合物和方法。该化合物是尼古丁α7受体的配体，可用于治疗中枢神经系统的各种障碍，特别是情感和神经退行性障碍。
• JP5714745
  申请人：——

  公开号：——

  公开（公告）日：——