6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanoic acid | 1001056-15-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanoic acid
• 英文别名: 6-[4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2-oxochromen-8-yl]oxyhexanoic acid
• CAS: 1001056-15-0
• 化学式: C₂₁H₂₀Cl₂N₂O₆
• 分子量: 467.306
• InChiKey: MUBDNAHVEWAGOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  L-丙氨酸甲酯盐酸盐 、 6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanoic acid 生成 (S)-methyl 2-(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanamido)propanoate
  参考文献：
  名称：

  BICYCLIC HETEROARYL INHIBITORS OF PDE4

  摘要：

  本发明涉及化合物和方法，可作为磷酸二酯酶4（PDE4）的抑制剂，用于治疗或预防炎症性疾病和其他涉及细胞因子和促炎介质水平升高的疾病。

  公开号：

  US20080027112A1
• 作为产物：
  描述：

  Ethyl 6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanoate 在 甲醇 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanoic acid
  参考文献：
  名称：

  Water-soluble PDE4 inhibitors for the treatment of dry eye

  摘要：

  PDE4 inhibitors have the potential to alleviate the symptoms and underlying inflammation associated with dry eye. Disclosed herein is the development of a novel series of water-soluble PDE4 inhibitors. Our studies led to the discovery of coumarin 18, which is effective in a rabbit model of dry eye and a tear secretion test in rats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.023

文献信息

• BICYCLIC HETEROARYL INHIBITORS OF PDE4
  申请人：Govek Steven

  公开号：US20080027112A1

  公开（公告）日：2008-01-31

  The present invention relates to compounds and methods which may be useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of inflammatory diseases and other diseases involving elevated levels of cytokines and proinflammatory mediators.

  本发明涉及化合物和方法，可作为磷酸二酯酶4（PDE4）的抑制剂，用于治疗或预防炎症性疾病和其他涉及细胞因子和促炎介质水平升高的疾病。
• US7745646B2
  申请人：——

  公开号：US7745646B2

  公开（公告）日：2010-06-29
• [EN] BICYCLIC HETEROARYL INHIBITORS OF PDE4<br/>[FR] HÉTÉROARYLES BICYCLIQUES INHIBITEURS DE PDE4
  申请人：GOVEK STEVEN P

  公开号：WO2008006051A2

  公开（公告）日：2008-01-10

  [EN] The present invention relates to compounds and methods which may be useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of inflammatory diseases and other diseases involving elevated levels of cytokines and proinflammatory mediators.
  [FR] La présente invention concerne des composés et des procédés qui peuvent être utiles en tant qu'inhibiteurs de la phosphodiestérase 4 (PDE4) pour le traitement ou la prévention de maladies inflammatoires et d'autres maladies associées à des taux élevés de cytokines et de médiateurs pro-inflammation.
• [EN] BICYCLIC HETEROARYL INHIBITORS OF PDE4<br/>[FR] INHIBITEURS DE LA PDE4 DE TYPE HÉTÉROARYLE BICYCLIQUE
  申请人：KALYPSYS INC

  公开号：WO2011093924A1

  公开（公告）日：2011-08-04

  The present invention relates to compounds and methods which may be useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of inflammatory diseases and other diseases involving elevated levels of cytokines and proinflammatory mediators.
• Water-soluble PDE4 inhibitors for the treatment of dry eye
  作者：Steven P. Govek、Guy Oshiro、John V. Anzola、Clay Beauregard、Jasmine Chen、Avery R. Coyle、Daniel A. Gamache、Mark R. Hellberg、Jennifer N. Hsien、Julia M. Lerch、John C. Liao、James W. Malecha、Lena M. Staszewski、David J. Thomas、John M. Yanni、Stewart A. Noble、Andrew K. Shiau

  DOI：10.1016/j.bmcl.2010.03.023

  日期：2010.5

  PDE4 inhibitors have the potential to alleviate the symptoms and underlying inflammation associated with dry eye. Disclosed herein is the development of a novel series of water-soluble PDE4 inhibitors. Our studies led to the discovery of coumarin 18, which is effective in a rabbit model of dry eye and a tear secretion test in rats. (C) 2010 Elsevier Ltd. All rights reserved.