(2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蛤蚌毒素、膝沟藻毒素及其衍生物
• 英文名称: (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate
• 化学式: C₁₀H₁₇N₇O₄
• 分子量: 299.29
• InChiKey: RPQXVSUAYFXFJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  185
• 氢给体数：
  6
• 氢受体数：
  6

文献信息

• USE OF SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF VISCERAL PAIN OR PAIN CAUSED BY CANCER TREATMENT
  申请人：Wex Pharmaceuticals Inc.

  公开号：EP1928452A2

  公开（公告）日：2008-06-11
• USE OF SODIUM CHANNEL BLOCKERS FOR THE MANAGEMENT OF MUSCULOSKELETAL PAIN
  申请人：Wex Pharmaceuticals Inc.

  公开号：EP1931349A2

  公开（公告）日：2008-06-18
• EP1931349A4
  申请人：——

  公开号：EP1931349A4

  公开（公告）日：2009-08-05
• Use of sodium channel blockers for the management of musculoskeletal pain
  申请人：Fisher Kim Noel

  公开号：US20100048592A1

  公开（公告）日：2010-02-25

  The invention provides methods for managing musculoskeletal pain. The compounds useful in the methods of the invention are blockers of sodium ion channels, and in particular compounds that bind to the SS1 or SS2 extracellular mouth of the a-subunit thereof. Particularly useful compounds are saxitoxin and its derivatives and analogues and tetrodotoxin and its derivatives and analogues.
• Use of sodium channel blockers for the treatment of visceral pain or pain caused by cancer treatment
  申请人：Fisher Kim Noel

  公开号：US20100144767A1

  公开（公告）日：2010-06-10

  The invention provides methods for treating visceral pain and pain associated with therapy. The compounds useful in the methods of the invention are blockers of sodium ion channels, and in particular compounds that bind to the SS1 or SS2 extracellular mouth of the α-subunit thereof. Particularly useful compounds are saxitoxin and its derivatives and analogues and tetrodotoxin and its derivatives and analogues.