(5,8-dichloro-1-cyclopropyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid | 630398-34-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (5,8-dichloro-1-cyclopropyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
• 英文别名: 2-(5,8-dichloro-1-cyclopropyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
• CAS: 630398-34-4
• 化学式: C₁₆H₁₅Cl₂NO₃
• 分子量: 340.206
• InChiKey: XMJNHKOYRLWPKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 乙醇 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (5,8-dichloro-1-cyclopropyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
  参考文献：
  名称：

  The discovery and structure–activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase

  摘要：

  We describe the structure-activity relationship of the C1-group of pyrano[3,4-b]indole based inhibitors of HCV NS5B polymerase. Further exploration of the allosteric binding site led to the discovery of the significantly more potent compound 12. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.002

文献信息

• Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus
  申请人：Wyeth

  公开号：US20040082643A1

  公开（公告）日：2004-04-29

  The invention is directed to methods of treating, preventing, or inhibiting a Hepatitis C viral infection in a mammal comprising contacting the mammal with an effective amount of a compound of the formula: 1 Wherein substitutions at R 1 , R 2 , R 3 -R 12 , and Y are set forth in the specification.

  本发明涉及一种用于治疗、预防或抑制哺乳动物体内丙型肝炎病毒感染的方法，包括将哺乳动物与公式1中的化合物的有效量接触。其中，R1、R2、R3-R12和Y的取代基在规范中说明。
• US7217730B2
  申请人：——

  公开号：US7217730B2

  公开（公告）日：2007-05-15
• The discovery and structure–activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase
  作者：Matthew G. LaPorte、Tandy L. Draper、Lori E. Miller、Charles W. Blackledge、Lara K. Leister、Eugene Amparo、Alison R. Hussey、Dorothy C. Young、Srinivas K. Chunduru、Christopher A. Benetatos、Gerry Rhodes、Ariamala Gopalsamy、Torsten Herbertz、Christopher J. Burns、Stephen M. Condon

  DOI：10.1016/j.bmcl.2010.03.002

  日期：2010.5

  We describe the structure-activity relationship of the C1-group of pyrano[3,4-b]indole based inhibitors of HCV NS5B polymerase. Further exploration of the allosteric binding site led to the discovery of the significantly more potent compound 12. (C) 2010 Elsevier Ltd. All rights reserved.