N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-1,3-benzoxazol-6-yl]-2-methylpropane-2-sulfonamide | 1395829-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-1,3-benzoxazol-6-yl]-2-methylpropane-2-sulfonamide
• CAS: 1395829-79-4
• 化学式: C₂₃H₃₀N₄O₄S
• 分子量: 458.582
• InChiKey: UQFDONSOHCWLLV-IYBDPMFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(4-amino-3-hydroxyphenyl)-2-methylpropane-2-sulfonamide 、 (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethylmorpholine 在 双氧水 、 lithium hydroxide 作用下， 生成 N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-1,3-benzoxazol-6-yl]-2-methylpropane-2-sulfonamide
  参考文献：
  名称：

  Hit to lead SAR study on benzoxazole derivatives for an NPY Y5 antagonist

  摘要：

  We report a hit to lead study on a novel benzoxazole NPY Y5 antagonist. Starting from HTS hit 1, structure-activity relationships were developed. Compound 12 showed reduction of food intake and a tendency to suppress body weight gain over the 21-day experimental period. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.027

文献信息

• Hit to lead SAR study on benzoxazole derivatives for an NPY Y5 antagonist
  作者：Naoki Omori、Naoki Kouyama、Akira Yukimasa、Kana Watanabe、Yasunori Yokota、Hideki Tanioka、Hirohide Nambu、Hideo Yukioka、Norihito Sato、Yukari Tanaka、Kazutaka Sekiguchi、Takayuki Okuno

  DOI：10.1016/j.bmcl.2012.01.027

  日期：2012.3

  We report a hit to lead study on a novel benzoxazole NPY Y5 antagonist. Starting from HTS hit 1, structure-activity relationships were developed. Compound 12 showed reduction of food intake and a tendency to suppress body weight gain over the 21-day experimental period. (C) 2012 Elsevier Ltd. All rights reserved.