2-(2H-1,2,3-triazol-2-yl)thiophene-3-carbonyl chloride | 1612786-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-(2H-1,2,3-triazol-2-yl)thiophene-3-carbonyl chloride
• 英文别名: 2-[1,2,3]triazol-2-yl-thiophene-3-carbonyl chloride；2-[1,2,3]Triazol-2-yl-thiophene-3-carbonyl chloride；2-(triazol-2-yl)thiophene-3-carbonyl chloride
• CAS: 1612786-50-1
• 化学式: C₇H₄ClN₃OS
• 分子量: 213.647
• InChiKey: XYRDZFUYJNPUEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  393.4±52.0 °C(predicted)
• 密度：
  1.64±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S,6R)-6-甲基哌啶-3-醇 、 2-(2H-1,2,3-triazol-2-yl)thiophene-3-carbonyl chloride 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 生成 (2-(2H-1,2,3-triazol-2-yl)thiophen-3-yl)((2R,5S)-5-hydroxy-2-methylpiperidin-1-yl)methanone
  参考文献：
  名称：

  [EN] HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE SUBSTITUÉS PAR UN GROUPE HYDROXY

  摘要：

  本发明涉及对促进素受体的拮抗剂的羟基化合物。本发明还涉及所述化合物在潜在治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进素受体的疾病中的用途。

  公开号：

  WO2014176142A1
• 作为产物：
  描述：

  2-溴-3-噻吩甲酸 在 copper(l) iodide 、 氯化亚砜 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 97.0h， 生成 2-(2H-1,2,3-triazol-2-yl)thiophene-3-carbonyl chloride
  参考文献：
  名称：

  [EN] THIAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE DE THIAZOLE

  摘要：

  本发明涉及噻唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述噻唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。

  公开号：

  WO2015020933A1

文献信息

• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS OXAZOLE ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018029A1

  公开（公告）日：2015-02-12

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述氧唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE D'OXAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020930A1

  公开（公告）日：2015-02-12

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进素受体的拮抗剂。本发明还涉及所述氧唑化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进素受体的疾病中的用途。
• [EN] THIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE DE THIAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020933A1

  公开（公告）日：2015-02-12

  The present invention is directed to thiazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the thiazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及噻唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述噻唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] 2-PYRIDYLAMINO-4-NITRILE-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS DE 2-PYRIDYLAMINO-4-NITRILE-PIPÉRIDINYL, ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014085208A1

  公开（公告）日：2014-06-05

  The present invention is directed to 2-pyridylamino-4-nitrile-piperidinyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridylamino-4-nitrile-piperidinyl compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及2-吡啶基氨基-4-硝基-哌啶基化合物，其是促进睡眠激素受体的拮抗剂。本发明还涉及使用本文所述的2-吡啶基氨基-4-硝基-哌啶基化合物治疗或预防涉及促进睡眠激素受体的神经和精神疾病和疾病的用途。本发明还涉及包含这些化合物的制药组合物。本发明还涉及这些制药组合物在预防或治疗涉及促进睡眠激素受体的疾病中的用途。
• 2-PYRIDYLAMINO-4-NITRILE-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20150322039A1

  公开（公告）日：2015-11-12

  The present invention is directed to 2-pyridylamino-4-nitrile-piperidinyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridylamino-4-nitrile-piperidinyl compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及2-吡啶基氨基-4-硝基哌啶基化合物，它们是促进睡眠的荷尔蒙受体拮抗剂。本发明还涉及上述2-吡啶基氨基-4-硝基哌啶基化合物在治疗或预防涉及荷尔蒙受体的神经系统和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的制药组合物。本发明还涉及这些制药组合物在预防或治疗涉及荷尔蒙受体的疾病中的用途。