{(7R)-7-[(4-fluorobenzoyl)(methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid | 1219007-24-5

• 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: {(7R)-7-[(4-fluorobenzoyl)(methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
• 英文别名: 2-[(7R)-7-[(4-fluorobenzoyl)-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
• CAS: 1219007-24-5
• 化学式: C₂₂H₂₁FN₂O₃
• 分子量: 380.419
• InChiKey: YQQWBAZTWWZARI-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate 在 4-二甲氨基吡啶 、 水 、 magnesium 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 {(7R)-7-[(4-fluorobenzoyl)(methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
  参考文献：
  名称：

  New indole amide derivatives as potent CRTH2 receptor antagonists

  摘要：

  A new series of indole amide acting as hCRTH2 receptor ligands had been explored and are described herein. Several amide derivatives displaying low nanomolar activity in hCRTH2 binding and whole blood assays were identified. They were found to behave as a full antagonists, exhibiting good selectivity over related prostaglandin receptors. Also, prototypical compounds in this novel series which displayed acceptable CYP profiles and were orally bioavailable in rats were identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.085

文献信息

• INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS
  申请人：Colucci John

  公开号：US20110172263A1

  公开（公告）日：2011-07-14

  Compound of formula I are antagonists of the PGD2 receptor, CRTH2, and as such are useful in the treatment and/or prevention of CRTH2-mediated diseases such as asthma.

  I类化合物是PGD2受体CRTH2的拮抗剂，因此在治疗和/或预防CRTH2介导的疾病，如哮喘方面非常有用。
• Indole derivatives as CRTH2 receptor antagonists
  申请人：Colucci John

  公开号：US08637671B2

  公开（公告）日：2014-01-28

  Compound of formula I are antagonists of the PGD2 receptor, CRTH2, and as such are useful in the treatment and/or prevention of CRTH2-mediated diseases such as asthma.

  公式I的化合物是PGD2受体CRTH2的拮抗剂，因此在治疗和/或预防CRTH2介导的疾病，如哮喘方面有用。
• US8637671B2
  申请人：——

  公开号：US8637671B2

  公开（公告）日：2014-01-28