N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
• 英文别名: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide；N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
• 化学式: C₁₇H₁₇N₅O₅
• mdl: MFCD02603895
• 分子量: 371.352
• InChiKey: JPTMRBCYBDCYBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4-亚甲二氧基苄胺 、 茶碱乙酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以68 %的产率得到N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
  参考文献：
  名称：

  Discovery of blood-brain barrier permeable and orally bioavailable caffeine-based amide derivatives as acetylcholinesterase inhibitors

  摘要：

  DOI：

  10.1016/j.bioorg.2023.106719

文献信息

• Methods and compositions for treating pain
  申请人：Moran M. Magdalene

  公开号：US20070219222A1

  公开（公告）日：2007-09-20

  The present application relates to compounds and methods for treating pain, incontinence and other conditions.

  本申请涉及化合物和治疗疼痛、失禁和其他疾病的方法。
• METHODS AND COMPOSITIONS FOR TREATING PAIN
  申请人：MORAN MAGDALENE M.

  公开号：US20100267750A1

  公开（公告）日：2010-10-21

  The present application relates to compounds and methods for treating pain, incontinence and other conditions.

  本申请涉及化合物和治疗疼痛、失禁和其他疾病的方法。
• COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES
  申请人：HYDRA BIOSCIENCES, INC

  公开号：US20130303521A1

  公开（公告）日：2013-11-14

  Compounds and compositions for treating injuries caused by exposure to chemical warfare agents are described herein.

  本文描述了用于治疗因暴露于化学战剂而引起的损伤的化合物和组合物。
• METHODS OF INSECT CONTROL
  申请人：Garrity Paul

  公开号：US20110151018A1

  公开（公告）日：2011-06-23

  The present invention is directed towards methods of inhibiting thermo- and chemo-sensing in insects and pests by inhibiting TRPA1 ion gated channel or family members. The present invention is also directed towards methods of insect control by modulating the TRPA1 ion gated channel or family members. The methods are applicable to a wide variety of insects and pests including agricultural and horticultural pests.
• US7671061B2
  申请人：——

  公开号：US7671061B2

  公开（公告）日：2010-03-02