methanesulfonic acid 2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methanesulfonic acid 2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl ester
• 英文别名: methanesulfonic acid-2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl ester；2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl methanesulphonate；2-{4-[5-(4-chlorophenyl)-3-fluoropyridin-2-ylethynyl]phenoxy}ethyl methanesulfonate；2-{4-[5-(4-Chlorophenyl)-3-fluoropyridin-2-ylethynyl]phenoxy}ethyl methanesulfonate；2-[4-[2-[5-(4-chlorophenyl)-3-fluoropyridin-2-yl]ethynyl]phenoxy]ethyl methanesulfonate
• 化学式: C₂₂H₁₇ClFNO₄S
• 分子量: 445.899
• InChiKey: ZXEKJCUEKKPIRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl ester 、 1-[(2S)-pyrrolidin-2-yl]cyclopropanol 以The product is obtained analogously to Example 4f的产率得到1-[(S)-1-(2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl)-pyrrolidin-2-yl]-cyclopropanol
  参考文献：
  名称：

  Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds

  摘要：

  本发明涉及通式I的炔基化合物，其中A、B、W、X、Y、Z、R1和R2基团和基团具有权利要求1中给定的含义。此外，本发明涉及含有至少一种根据本发明的炔基化合物的制药组合物。由于它们的MCH受体拮抗活性，根据本发明的制药组合物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症和糖尿病。

  公开号：

  US20050239826A1
• 作为产物：
  描述：

  2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethanol 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以99%的产率得到methanesulfonic acid 2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethyl ester
  参考文献：
  名称：

  [DE] NEUE ALKIN-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL
  [EN] NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS
  [FR] NOUVEAUX COMPOSES D'ALCYNE A EFFET ANTAGONISTE VIS-A-VIS DE MCH ET MEDICAMENTS CONTENANT CES COMPOSES

  摘要：

  This invention relates to alkyne compounds of general formula I in which the groups and residues A, B, W, X, Y, Z, R1, and R2 have the meanings specified in claim 1. Furthermore, the invention relates to pharmaceutical compositions containing at least one alkyne compound according to the invention. Due to the MCH receptor antagonistic activity, the pharmaceutical compositions of the present invention are suitable for the treatment of metabolic disorders and/or eating disorders, especially obesity and diabetes.

  公开号：

  WO2005103031A1

文献信息

• [DE] NEUE ALKIN-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL<br/>[EN] NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES D'ALCYNE A EFFET ANTAGONISTE VIS-A-VIS DE MCH ET MEDICAMENTS CONTENANT CES COMPOSES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2005103031A1

  公开（公告）日：2005-11-03

  Die vorliegende Erfindung betrifft Alkin-Verbindungen der allgemeinen Formel I in der die Gruppen und Reste A, B, W, X, Y, Z, R1 und R2 die in Anspruch 1 angegebenen Bedeutungen aufweisen. Ferner betrifft die Erfindung Arzneimittel enthaltend mindestens ein erfindungsgemäßes Alkin. Auf Grund der MCH-Rezeptor antagonistischen Aktivität eignen sich die erfindungsgemäßen Arzneimittel zur Behandlung von metabolischen Störungen und/oder Essstörungen, insbesondere von Adipositas und Diabetes.

  This invention relates to alkyne compounds of general formula I in which the groups and residues A, B, W, X, Y, Z, R1, and R2 have the meanings specified in claim 1. Furthermore, the invention relates to pharmaceutical compositions containing at least one alkyne compound according to the invention. Due to the MCH receptor antagonistic activity, the pharmaceutical compositions of the present invention are suitable for the treatment of metabolic disorders and/or eating disorders, especially obesity and diabetes.
• [DE] NEUE ALKIN-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL<br/>[EN] NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES D'ALCYNE A EFFET ANTAGONISTE VIS-A-VIS DE MCH ET MEDICAMENTS CONTENANT CES COMPOSES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2005103002A3

  公开（公告）日：2006-02-02
• NEUE ALKIN-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1737823A2

  公开（公告）日：2007-01-03
• US7592358B2
  申请人：——

  公开号：US7592358B2

  公开（公告）日：2009-09-22
• Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds
  申请人：Stenkamp Dirk

  公开号：US20050234101A1

  公开（公告）日：2005-10-20

  Alkyne compounds having MCH-receptor antagonistic activity, which are useful for preparing pharmaceutical compositions for the treatment of metabolic disorders and/or eating disorders, particularly obesity and diabetes.

  炔烃化合物具有MCH受体拮抗活性，可用于制备用于治疗代谢性疾病和/或进食障碍的药物组合物，特别是肥胖症和糖尿病。