2-({5-(4-chlorophenyl)-5-[3-(2,5-dimethylpyrrolidin-1-yl)-3-oxopropyl]-5H-imidazo[2,1-a]isoindol-7-yl}oxy)-N,N-dimethylethanamine | 1227199-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-({5-(4-chlorophenyl)-5-[3-(2,5-dimethylpyrrolidin-1-yl)-3-oxopropyl]-5H-imidazo[2,1-a]isoindol-7-yl}oxy)-N,N-dimethylethanamine
• 英文别名: 3-[5-(4-chlorophenyl)-7-[2-(dimethylamino)ethoxy]imidazo[1,2-b]isoindol-5-yl]-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one
• CAS: 1227199-80-5
• 化学式: C₂₉H₃₅ClN₄O₂
• 分子量: 507.075
• InChiKey: MJZZXSIRVSRMKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 5-(4-chlorophenyl)-5-[3-(2,5-dimethylpyrrolidin-1-yl)-3-oxopropyl]-5H-imidazo[2,1-a]isoindol-7-ol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 生成 2-({5-(4-chlorophenyl)-5-[3-(2,5-dimethylpyrrolidin-1-yl)-3-oxopropyl]-5H-imidazo[2,1-a]isoindol-7-yl}oxy)-N,N-dimethylethanamine
  参考文献：
  名称：

  [EN] IMIDAZOISOINDOLE NEUROPEPTIDE S RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES IMIDAZOISOINDOLES DES RÉCEPTEURS DU NEUROPEPTIDE S

  摘要：

  本发明涉及嘌呤并异噁唑烷酮类化合物，这些化合物是神经肽S受体拮抗剂，可用于治疗或预防涉及神经肽S受体的神经和精神疾病。该发明还涉及含有这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及神经肽S受体的疾病中的用途。

  公开号：

  WO2010056567A1

文献信息

• Imidazoisoindole Neuropeptide S Receptor Antagonists
  申请人：Manley Peter J.

  公开号：US20110212941A1

  公开（公告）日：2011-09-01

  The present invention is directed to imidazoisoindole compounds which are antagonists of neuropeptide S receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which the neuropeptide S receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the neuropeptide S receptor is involved.

  本发明涉及咪唑异异吲哚化合物，其为神经肽S受体的拮抗剂，并且在预防或治疗涉及神经肽S受体的神经和精神障碍和疾病方面是有用的。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及神经肽S受体的这种疾病方面使用这些化合物和组合物。
• Imidazoisoindole neuropeptide S receptor antagonists
  申请人：Manley Peter J.

  公开号：US08541595B2

  公开（公告）日：2013-09-24

  The present invention is directed to imidazoisoindole compounds which are antagonists of neuropeptide S receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which the neuropeptide S receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the neuropeptide S receptor is involved.

  本发明涉及咪唑异异喹啉化合物，其为神经肽S受体拮抗剂，可用于治疗或预防神经系统和精神疾病，以及与神经肽S受体有关的疾病。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗神经肽S受体相关疾病中的使用。
• IMIDAZOISOINDOLE NEUROPEPTIDE S RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2365748A1

  公开（公告）日：2011-09-21
• US8541595B2
  申请人：——

  公开号：US8541595B2

  公开（公告）日：2013-09-24
• [EN] IMIDAZOISOINDOLE NEUROPEPTIDE S RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES IMIDAZOISOINDOLES DES RÉCEPTEURS DU NEUROPEPTIDE S
  申请人：MERCK SHARP & DOHME

  公开号：WO2010056567A1

  公开（公告）日：2010-05-20

  The present invention is directed to imidazoisoindole compounds which are antagonists of neuropeptide S receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which the neuropeptide S receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the neuropeptide S receptor is involved.

  本发明涉及嘌呤并异噁唑烷酮类化合物，这些化合物是神经肽S受体拮抗剂，可用于治疗或预防涉及神经肽S受体的神经和精神疾病。该发明还涉及含有这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及神经肽S受体的疾病中的用途。