methyl 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoate | 906090-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoate
• 英文别名: methyl 2-[(4-quinoxalin-2-ylpiperazine-1-carbonyl)amino]benzoate
• CAS: 906090-50-4
• 化学式: C₂₁H₂₁N₅O₃
• 分子量: 391.429
• InChiKey: VIIIEISOAZTBQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoate 在 lithium hydroxide 作用下， 生成 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoic acid
  参考文献：
  名称：

  Discovery of orally bioavailable and novel urea agonists of the high affinity niacin receptor GPR109A

  摘要：

  A urea class of high affinity niacin receptor agonists was discovered. Compound 1a displayed good PK, better in vivo efficacy in reducing FFA in mouse than niacin, and no vasodilation in a mouse model. Compound 1q demonstrated equal affinity to GPR109A as niacin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.055
• 作为产物：
  描述：

  2-(甲氧基羰基)苯基异氰酸酯 、 2-哌嗪-1-基-喹噁啉 生成 methyl 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoate
  参考文献：
  名称：

  Discovery of orally bioavailable and novel urea agonists of the high affinity niacin receptor GPR109A

  摘要：

  A urea class of high affinity niacin receptor agonists was discovered. Compound 1a displayed good PK, better in vivo efficacy in reducing FFA in mouse than niacin, and no vasodilation in a mouse model. Compound 1q demonstrated equal affinity to GPR109A as niacin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.055

文献信息

• Anthranilic Acid Derivatives and Their Use in Treatment of Diseases of Lipid Metabolism, in Particular Dyslipidaemia
  申请人：Campbell Matthew

  公开号：US20080139565A1

  公开（公告）日：2008-06-12

  Therapeutically active anthranilic acid derivatives of Formula (I) wherein R 1 , R 2 , W, Y and Z are as defined in the specification, processes for the preparation of said derivatives, pharmaceutical formulations containing the active compounds and the use of the compounds in therapy, particularly in the treatment of diseases in which under-activation of the HM74A receptor contributes to the disease or in which activation of the receptor will be beneficial, are disclosed.

  本发明涉及一种公式（I）的治疗活性蒽酸衍生物，其中R1、R2、W、Y和Z如规范中所定义，制备该衍生物的方法，含有活性化合物的制药配方以及化合物在治疗中的使用，特别是在治疗HM74A受体功能低下导致的疾病或激活该受体将有益的疾病中的使用。
• WO2006/85108
  申请人：——

  公开号：——

  公开（公告）日：——