(S)-N-(4-chloro-3-trifluoromethylphenyl)-4-(3-chloro-5-(1,2-dihydroxyethyl)pyridin-2-yl)piperazine-1-carboxamide | 1073616-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-N-(4-chloro-3-trifluoromethylphenyl)-4-(3-chloro-5-(1,2-dihydroxyethyl)pyridin-2-yl)piperazine-1-carboxamide
• 英文别名: 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• CAS: 1073616-37-1
• 化学式: C₁₉H₁₉Cl₂F₃N₄O₃
• 分子量: 479.286
• InChiKey: ZPHYKOVFFUOLRW-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  88.9
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6-二氯烟酸 在 palladium diacetate 、 1,3-双(二苯基膦)丙烷 盐酸 、 sodium tetrahydroborate 、 potassium osmate 、 potassium carbonate 、 1-羟基苯并三唑 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 氢化奎尼定 1,4-(2,3-二氮杂萘)二醚 、 三乙胺 、 sodium t-butanolate 、 potassium hexacyanoferrate(III) 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 氯苯 、 甲苯 、 叔丁醇 为溶剂， 反应 34.5h， 生成 (S)-N-(4-chloro-3-trifluoromethylphenyl)-4-(3-chloro-5-(1,2-dihydroxyethyl)pyridin-2-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  WO2008/132600

  摘要：

  公开号：

文献信息

• TRPV1 antagonists and uses thereof
  申请人：Purdue Pharma L.P.

  公开号：EP2604598A1

  公开（公告）日：2013-06-19

  The invention relates to compounds of formula I and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof.

  本发明涉及式 I 的化合物 及其药学上可接受的衍生物，包含有效量的式 I 化合物或其药学上可接受的衍生物的组合物，以及治疗或预防疼痛、UI、溃疡、IBD 和肠易激综合征等病症的方法，包括向有需要的动物施用有效量的式 I 化合物或其药学上可接受的衍生物。
• TRPV1 antagonists including dihydroxy substituent and uses thereof
  申请人：Purdue Pharma L.P.

  公开号：US10584110B2

  公开（公告）日：2020-03-10

  The invention relates to compounds of formula IA and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof.

  本发明涉及式 IA 的化合物 及其药学上可接受的衍生物，包含有效量的式 IA 化合物或其药学上可接受的衍生物的组合物，以及治疗或预防疼痛、UI、溃疡、IBD 和 IBS 等病症的方法，包括向需要的动物施用有效量的式 IA 化合物或其药学上可接受的衍生物。
• TRPV1 ANTAGONISTS AND USES THEREOF
  申请人：Purdue Pharma LP

  公开号：EP2142529B1

  公开（公告）日：2013-12-25
• TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF
  申请人：Tafesse Laykea

  公开号：US20090170868A1

  公开（公告）日：2009-07-02

  The invention relates to compounds of formula IA and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof.
• TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF
  申请人：Kurose Noriyuki

  公开号：US20090170867A1

  公开（公告）日：2009-07-02

  The invention relates to compounds of formula IA′ and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA′ or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula IA′ or a pharmaceutically acceptable derivative thereof.