2-[3-(3-chloro-2,4-cyclohexadien-1-yl)-7-{[1-(1-methylethyl)-4-piperidinyl]oxy}-1-oxopyrrolo[1,2-a]pyrazin-2(1H)-yl]-N-(1-methylethyl)acetamide | 1192685-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: 2-[3-(3-chloro-2,4-cyclohexadien-1-yl)-7-{[1-(1-methylethyl)-4-piperidinyl]oxy}-1-oxopyrrolo[1,2-a]pyrazin-2(1H)-yl]-N-(1-methylethyl)acetamide
• 英文别名: 2-[3-(3-chlorophenyl)-1-oxo-7-(1-propan-2-ylpiperidin-4-yl)oxypyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
• CAS: 1192685-30-5
• 化学式: C₂₆H₃₃ClN₄O₃
• 分子量: 485.026
• InChiKey: XGNIGFXFSQOEEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[3-(3-chlorophenyl)-1-oxo-7-(4-piperidinyloxy)pyrrolo[1,2-a]pyrazin-2(1H)-yl]-N-(1-methylethyl)acetamide 、 丙酮 在 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 生成 2-[3-(3-chloro-2,4-cyclohexadien-1-yl)-7-{[1-(1-methylethyl)-4-piperidinyl]oxy}-1-oxopyrrolo[1,2-a]pyrazin-2(1H)-yl]-N-(1-methylethyl)acetamide
  参考文献：
  名称：

  Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: Novel, potent, and selective series of Vasopressin1b receptor antagonists

  摘要：

  Novel series of pyrrole-pyrazinone and pyrazole-pyrazinone have been identified as potent and selective Vasopressin(1b) receptor antagonists. Exploration of the substitution pattern around the core of these templates allowed generation of compounds with high inhibitory potency at the Vasopressin(1b) receptor, including examples that showed good selectivity with respect to Vasopressin(1a), Vasopressin(2), and Oxytocin receptor subtypes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.037

文献信息

• Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: Novel, potent, and selective series of Vasopressin1b receptor antagonists
  作者：Roberto Arban、Federica Bianchi、Alberto Buson、Susanna Cremonesi、Romano Di Fabio、Gabriella Gentile、Fabrizio Micheli、Alessandra Pasquarello、Alfonso Pozzan、Luca Tarsi、Silvia Terreni、Federica Tonelli

  DOI：10.1016/j.bmcl.2010.07.037

  日期：2010.9

  Novel series of pyrrole-pyrazinone and pyrazole-pyrazinone have been identified as potent and selective Vasopressin(1b) receptor antagonists. Exploration of the substitution pattern around the core of these templates allowed generation of compounds with high inhibitory potency at the Vasopressin(1b) receptor, including examples that showed good selectivity with respect to Vasopressin(1a), Vasopressin(2), and Oxytocin receptor subtypes. (C) 2010 Elsevier Ltd. All rights reserved.