3-[N-(phenylsulfonyl)-3-(4-chlorobenzyl)-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid | 136668-76-3

• 分子结构分类: 有机化合物
• 英文名称: 3-[N-(phenylsulfonyl)-3-(4-chlorobenzyl)-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
• 英文别名: 3-[1-(Benzenesulfonyl)-3-[(4-chlorophenyl)methyl]-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
• CAS: 136668-76-3
• 化学式: C₃₆H₃₁ClN₂O₅S
• 分子量: 639.172
• InChiKey: ZFYUWSDXFPQNMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[N-(phenylsulfonyl)-3-(4-chlorobenzyl)-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid 生成 3-[N-benzyl-3-(4-chlorobenzyl)-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
  参考文献：
  名称：

  (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of

  摘要：

  具有化学式 I: ##STR1## 的化合物是白三烯生物合成的抑制剂。这些化合物可用作抗哮喘、抗过敏、抗炎和细胞保护剂。它们还可用于治疗腹泻、高血压、心绞痛、血小板聚集、脑痉挛、早产、自发流产、痛经和偏头痛。

  公开号：

  US05272145A1

文献信息

• (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0419049A1

  公开（公告）日：1991-03-27

  Compounds having the formula I: are inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating diarrhea, hypertension, angina, platelet aggregation, cerebral spasm, premature labor, spontaneous abortion, dysmenorrhea, and migraine.

  具有式 I 的化合物 是白三烯生物合成的抑制剂。这些化合物可用作抗哮喘、抗过敏、抗炎和细胞保护剂。它们还可用于治疗腹泻、高血压、心绞痛、血小板聚集、脑痉挛、早产、自然流产、痛经和偏头痛。
• Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment
  申请人：Helgadottir Anna

  公开号：US20050113408A1

  公开（公告）日：2005-05-26

  Linkage of myocardial infarction (MI) and a locus on chromosome 13q12 is disclosed. In particular, the FLAP gene within this locus is shown by genetic association analysis to be a susceptibility gene for MI and ACS, as well as stroke and PAOD. Pathway targeting for treatment and diagnostic applications in identifying those who are at risk of developing MI, ACS, stroke or PAOD, in particular are described.

  本研究揭示了心肌梗塞（MI）与染色体 13q12 上一个位点的联系。特别是，遗传关联分析表明，该基因座上的 FLAP 基因是心肌梗死和急性心肌梗死以及中风和 PAOD 的易感基因。该研究还描述了用于治疗和诊断的路径靶向技术，特别是用于识别有患心肌梗死、心肌梗死综合症、中风或急性心肌梗死综合症风险的人群。
• Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment
  申请人：Helgadottir Anna

  公开号：US20060019269A1

  公开（公告）日：2006-01-26

  Linkage of myocardial infarction (MI) and a locus on chromosome 13q12 is disclosed. In particular, the FLAP gene within this locus is shown by genetic association analysis to be a susceptibility gene for MI and ACS, as well as stroke and PAOD. Pathway targeting for treatment and diagnostic applications in identifying those who are at risk of developing MI, ACS, stroke or PAOD, in particular are described. The invention also provides for compositions comprising a leukotriene synthesis inhibitor and a stating and methods of using these compositions to reduce C-reactive protein in a human subject at risk of MI, ACS, stroke and/or PAOD.

  本研究揭示了心肌梗塞（MI）与染色体 13q12 上一个位点的联系。特别是，遗传关联分析表明，该基因座上的 FLAP 基因是心肌梗死和急性心肌梗死以及中风和 PAOD 的易感基因。本发明描述了用于治疗和诊断的靶向途径，特别是用于识别有患心肌梗死、心肌梗死综合症、中风或 PAOD 风险的人群。本发明还提供了包含白三烯合成抑制剂和说明的组合物，以及使用这些组合物降低有MI、ACS、中风和/或PAOD风险的人体内C反应蛋白的方法。
• SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT
  申请人：Decode Genetics EHF.

  公开号：EP1718284A2

  公开（公告）日：2006-11-08
• SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT
  申请人：Decode Genetics EHF.

  公开号：EP1871908A2

  公开（公告）日：2008-01-02