[2'-ethylaminomethyl-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-ethanoic acid ethyl ester hydrochloride | 1277168-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2'-ethylaminomethyl-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-ethanoic acid ethyl ester hydrochloride
• 英文别名: [2'-ethylaminomethyl-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-acetic acid ethyl ester, hydrochloride；ethyl 2-[3-[2-(ethylaminomethyl)-4-(5-fluoropyridin-2-yl)phenyl]-4-methoxyphenyl]acetate;hydrochloride
• CAS: 1277168-92-9
• 化学式: C₂₅H₂₇FN₂O₃*ClH
• 分子量: 458.96
• InChiKey: XSLQQWYOARJCIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  60.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2'-ethylaminomethyl-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-ethanoic acid ethyl ester hydrochloride 在 lithium hydroxide monohydrate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-4''-(5-fluoropyridin-2-yl)-6-methoxybiphenyl-3-yl)acetic acid
  参考文献：
  名称：

  Sodium [2′-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4′-(6-ethoxy-pyridin-3-yl)-6-methoxy-biphenyl-3-yl]-acetate (AM432): A potent, selective prostaglandin D2 receptor antagonist

  摘要：

  Compound 21 (AM432) was identified as a potent and selective antagonist of the DP2 receptor (CRTH2). Modification of a bi-aryl core identified a series of tri-aryl antagonists of which compound 21 proved a viable clinical candidate. AM432 shows excellent potency in a human whole blood eosinophil shape change assay with prolonged incubation, a comparatively long off-rate from the DP2 receptor, excellent pharmacokinetics in dog and in vivo activity in two mouse models of inflammatory disease after oral dosing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.016
• 作为产物：
  描述：

  [2'-[(tert-Butoxycarbonyl-ethyl-amino)-methyl]-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-acetic acid ethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 [2'-ethylaminomethyl-4'-(5-fluoro-pyridin-2-yl)-6-methoxy-biphenyl-3-yl]-ethanoic acid ethyl ester hydrochloride
  参考文献：
  名称：

  Sodium [2′-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4′-(6-ethoxy-pyridin-3-yl)-6-methoxy-biphenyl-3-yl]-acetate (AM432): A potent, selective prostaglandin D2 receptor antagonist

  摘要：

  Compound 21 (AM432) was identified as a potent and selective antagonist of the DP2 receptor (CRTH2). Modification of a bi-aryl core identified a series of tri-aryl antagonists of which compound 21 proved a viable clinical candidate. AM432 shows excellent potency in a human whole blood eosinophil shape change assay with prolonged incubation, a comparatively long off-rate from the DP2 receptor, excellent pharmacokinetics in dog and in vivo activity in two mouse models of inflammatory disease after oral dosing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.016

文献信息

• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20120058123A1

  公开（公告）日：2012-03-08

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD 2 receptors. Also described herein are methods of using such antagonists of PGD 2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包括这些PGD2受体拮抗剂化合物的药物组合物和药物。此外，还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物联合治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症的方法。
• N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors
  申请人：Hutchinson John Howard

  公开号：US08362044B2

  公开（公告）日：2013-01-29

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了PGD2受体拮抗剂化合物。还描述了包括这些化合物的药物组合物和药物在内的药物制剂，这些药物是PGD2受体拮抗剂。本文还描述了使用这些PGD2受体拮抗剂的方法，单独或与其他化合物结合，用于治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症。