| 1338816-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1338816-21-9
• 化学式: C₁₅H₂₀N₄
• 分子量: 256.351
• InChiKey: OILMGOMGMNCTJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  42.74
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 对甲氧基苯甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide
  参考文献：
  名称：

  Acylglycinamides as inhibitors of glycine transporter type 1

  摘要：

  A screening hit was used as the basis for the core structure of a new series of acylglycinamide GlyT-1 inhibitors. Investigation of the SAR around four areas of diversity used facile chemistry to prepare compounds quickly. By focussing on reducing the lipophilicity and improving the aqueous solubility in the series we were able to prepare a compound (17e) with a good level of activity at GlyT-1, selectivity over GlyT-2 and moderate oral bioavailability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.096
• 作为产物：
  描述：

  1-苯基-1H-1,2,3-噻唑-4-甲醛 、 环己胺 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Acylglycinamides as inhibitors of glycine transporter type 1

  摘要：

  A screening hit was used as the basis for the core structure of a new series of acylglycinamide GlyT-1 inhibitors. Investigation of the SAR around four areas of diversity used facile chemistry to prepare compounds quickly. By focussing on reducing the lipophilicity and improving the aqueous solubility in the series we were able to prepare a compound (17e) with a good level of activity at GlyT-1, selectivity over GlyT-2 and moderate oral bioavailability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.096