[1-(3-chloropyridin-2-yl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate | 801306-59-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [1-(3-chloropyridin-2-yl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
• CAS: 801306-59-2
• 化学式: C₁₁H₁₀ClF₃N₂O₃S
• 分子量: 342.726
• InChiKey: HCZXBWLRQHXXLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [1-(3-chloropyridin-2-yl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate 、 乙醇 、 一氧化碳 在 palladium diacetate 、 三苯基膦 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 3'-chloro-3,6-dihydro-2H-[1,2'-bipyridine]-4-carboxylate
  参考文献：
  名称：

  Vanilloid receptor modulators

  摘要：

  公开号：

  EP1627869B1
• 作为产物：
  描述：

  2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 [1-(3-chloropyridin-2-yl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
  参考文献：
  名称：

  Vanilloid receptor modulators

  摘要：

  公开号：

  EP1627869B1

文献信息

• Therapeutic agents useful for treating pain
  申请人：Kyle J. Donald

  公开号：US20070027159A1

  公开（公告）日：2007-02-01

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文披露了一种化合物，其分子式为：其中Ar1、Ar2、V、X、R3、R4和m如本文所述或其药学上可接受的盐（“环（杂）烯基化合物”）；包含有效量的环（杂）烯基化合物的组合物；以及治疗或预防动物的疼痛、尿失禁、溃疡、炎症性肠病或肠易激综合征等疾病的方法，包括向需要的动物中投与有效量的环（杂）烯基化合物。
• THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN
  申请人：Kyle Donald J.

  公开号：US20110152324A1

  公开（公告）日：2011-06-23

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文披露了一种化合物，其化学式为：其中Ar1，Ar2，V，X，R3，R4和m如本文所述，或其药物可接受的盐（“环（杂）烯基化合物”）；包含有效量的环（杂）烯基化合物的组合物；以及治疗或预防动物的疼痛、尿失禁、溃疡、炎症性肠病或肠易激综合征等疾病的方法，包括向需要治疗的动物投与有效量的环（杂）烯基化合物。
• Therapeutic Agents Useful for Treating Pain
  申请人：Kyle Donald J.

  公开号：US20130012541A1

  公开（公告）日：2013-01-10

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文介绍了一种化合物，其化学式为：其中Ar1，Ar2，V，X，R3，R4和m如本文所述或其药学上可接受的盐（“环（杂）烯基化合物”）; 包含有效量的环（杂）烯基化合物的组合物; 以及治疗或预防动物的疼痛，UI，溃疡，IBD或IBS的方法，包括向需要的动物施用有效量的环（杂）烯基化合物。
• Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists
  作者：Brian S. Brown、Ryan Keddy、Guo Zhu Zheng、Robert G. Schmidt、John R. Koenig、Heath A. McDonald、Bruce R. Bianchi、Prisca Honore、Michael F. Jarvis、Carol S. Surowy、James S. Polakowski、Kennan C. Marsh、Connie R. Faltynek、Chih-Hung Lee

  DOI：10.1016/j.bmc.2008.08.005

  日期：2008.9

  A series of 1,2,3,6-tetrahydropyridyl-4-carboxamides, exemplified by 6, have been synthesized and evaluated for in vitro TRPV1 antagonist activity, and in vivo analgesic activity in animal pain models. The tetrahydropyridine 6 is a novel TRPV1 receptor antagonist that potently inhibits receptor-mediated Ca2+ influx in vitro induced by several agonists, including capsaicin, N-arachidonoyldopamine (NADA), and low pH. This compound penetrates the CNS and shows potent anti-nociceptive effects in a broad range of animal pain models upon oral dosing due in part to its ability to antagonize both central and peripheral TRPV1 receptors. The SAR leading to the discovery of 6 is presented in this report. (C) 2008 Elsevier Ltd. All rights reserved.
• US7683063B2
  申请人：——

  公开号：US7683063B2

  公开（公告）日：2010-03-23