N-cyclopropylmethyl-2-(6-hydroxy-4-oxo-2-phenyl-4H-quinazolin-3-yl)acetamide | 909392-63-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-cyclopropylmethyl-2-(6-hydroxy-4-oxo-2-phenyl-4H-quinazolin-3-yl)acetamide
• 英文别名: N-(cyclopropylmethyl)-2-(6-hydroxy-4-oxo-2-phenylquinazolin-3-yl)acetamide
• CAS: 909392-63-8
• 化学式: C₂₀H₁₉N₃O₃
• 分子量: 349.389
• InChiKey: QNOVRWPYIKWGLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  82
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-cyclopropylmethyl-2-(6-hydroxy-4-oxo-2-phenyl-4H-quinazolin-3-yl)acetamide 、 5-(N-叔丁氧羰基氨基)-1-戊醇 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， 生成
  参考文献：
  名称：

  Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists

  摘要：

  The discovery, synthesis, and preliminary structure-activity relationship (SAR) of a novel class of vasopressin V3 (V1b) receptor antagonists is described. Compound 1, identified by high throughput screening of a diverse, three million-member compound collection, prepared using ECLiPS (TM) technology, had good activity in a V3 binding assay (IC(50) = 0.20 mu M), but less than desirable physicochemical properties. Optimization of compound 1 yielded potent analogs 19 (IC(50) = 0.31 mu M) and 24 (IC(50) = 0.12 mu M) with improved drug-like characteristics. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.118

文献信息

• 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists
  申请人：Letourneau Jeffrey

  公开号：US20080214553A1

  公开（公告）日：2008-09-04

  The present invention relates to 2-(4-oxo4H-quinazolin-3-yl)acetamicle derivatives of formula (I), and to their use as vasopressin V3 antagonists, particularly for the treatment of depression.

  本发明涉及公式（I）的2-（4-氧代4H-喹唑啉-3-基）乙酰胺衍生物，以及它们作为利尿激素V3拮抗剂的用途，特别是用于治疗抑郁症。
• 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists
  申请人：N.V. Organon

  公开号：US07807686B2

  公开（公告）日：2010-10-05

  The present invention relates to 2-(4-oxo4H-quinazolin-3-yl) acetamicle derivatives of formula (I), and to their use as vasopressin V3 antagonists, particularly for the treatment of depression.

  本发明涉及式(I)的2-(4-氧代-4H-喹唑啉-3-基)乙酰胺类衍生物，以及它们作为抗利尿激素V3拮抗剂的用途，特别是用于治疗抑郁症。
• WO2006/95014
  申请人：——

  公开号：——

  公开（公告）日：——
• 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS
  申请人：N.V. Organon

  公开号：EP1861380B1

  公开（公告）日：2010-07-07
• US7807686B2
  申请人：——

  公开号：US7807686B2

  公开（公告）日：2010-10-05