((R)-4-{[6-(4-chloro-phenoxy)-5-isopropenyl-pyridine-3-sulfonyl]-methyl-amino}-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid ethyl ester | 1204534-10-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ((R)-4-{[6-(4-chloro-phenoxy)-5-isopropenyl-pyridine-3-sulfonyl]-methyl-amino}-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid ethyl ester
• 英文别名: ethyl 2-[(4R)-4-[[6-(4-chlorophenoxy)-5-prop-1-en-2-ylpyridin-3-yl]sulfonyl-methylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate
• CAS: 1204534-10-0
• 化学式: C₂₆H₂₉ClN₄O₅S
• 分子量: 545.059
• InChiKey: DFAWGJMNOTUNCX-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ((R)-4-{[6-(4-chloro-phenoxy)-5-isopropenyl-pyridine-3-sulfonyl]-methyl-amino}-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid ethyl ester 在 钯 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、13.51 MPa 条件下， 反应 2.5h， 以to afford ((R)-4-{[6-(4-chloro-phenoxy)-5-isopropyl-pyridine-3-sulfonyl]-methyl-amino}-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid ethyl ester (22.4 mg, 53%) as a white solid的产率得到((R)-4-{[6-(4-chloro-phenoxy)-5-isopropyl-pyridine-3-sulfonyl]-methyl-amino}-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  Aminotetrahydroindazoloacetic Acids

  摘要：

  本发明涉及公式I的化合物：及其药学上可接受的盐和酯，其中Q、W、X、R1-R5和n在详细说明和权利要求中有定义。此外，本发明还涉及制造和使用公式I化合物的方法，以及含有这些化合物的药物组合物。公式I化合物是CRTH2受体的拮抗剂，可用于治疗与该受体相关的疾病和障碍，如哮喘。

  公开号：

  US20120101131A1

文献信息

• AMINOTETRAHYDROINDAZOLOACETIC ACIDS
  申请人：Chen Li

  公开号：US20100016369A1

  公开（公告）日：2010-01-21

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein Q, W, X, R 1 -R 5 and n are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  这项发明涉及公式I的化合物： 以及其药学上可接受的盐和酯，其中Q、W、X、R1-R5和n在详细说明和权利要求中有定义。此外，本发明涉及制造和使用公式I化合物的方法，以及含有这些化合物的药物组合物。公式I的化合物是CRTH2受体的拮抗剂，可能在治疗与该受体相关的疾病和紊乱方面有用，如哮喘。
• Aminotetrahydroindazoloacetic acids
  申请人：Hoffmann-La Roche Inc.

  公开号：US08138208B2

  公开（公告）日：2012-03-20

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein Q, W, X, R1-R5 and n are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  本发明涉及公式I的化合物及其药学上可接受的盐和酯，其中Q、W、X、R1-R5和n在详细说明和权利要求中有定义。此外，本发明还涉及制造和使用公式I化合物的方法，以及含有这种化合物的制药组合物。公式I的化合物是CRTH2受体的拮抗剂，可能在治疗与该受体相关的疾病和障碍，如哮喘方面有用。
• US8138208B2
  申请人：——

  公开号：US8138208B2

  公开（公告）日：2012-03-20
• US8420675B2
  申请人：——

  公开号：US8420675B2

  公开（公告）日：2013-04-16
• [EN] AMINOTETRAHYDROINDAZOLOACETIC ACIDS<br/>[FR] ACIDES AMINOTÉTRAHYDROINDAZOLOACÉTIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010006944A1

  公开（公告）日：2010-01-21

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein Q, W, X, R1-R5 and n are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.