2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-1H-pyrazol-3-yl)-1,3,4-thiadiazole | 1219736-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-1H-pyrazol-3-yl)-1,3,4-thiadiazole
• 英文别名: tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-1H-pyrazol-3-yl)-1,3,4-thiadiazole；2-tert-butyl-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanylpyrazol-3-yl]-1,3,4-thiadiazole
• CAS: 1219736-02-3
• 化学式: C₂₂H₁₉Cl₃N₄S₂
• 分子量: 509.911
• InChiKey: YRUNWOVRTLUSOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  97.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-1H-pyrazol-3-yl)-1,3,4-thiadiazole 在 间氯过氧苯甲酸 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以85%的产率得到2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylsulfonyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazole
  参考文献：
  名称：

  SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS

  摘要：

  一种含硫杂环吡唑烷化合物，化学式为(I)，或其药学上可接受的盐，作为一种大麻素CB1受体的反向激动剂或拮抗剂具有有效性，可用于预防或治疗肥胖和与肥胖相关的代谢性疾病。该预防方法还提供了一种制备相同的方法，含有相同的药物组合物，以及预防或治疗肥胖和与肥胖相关的代谢性疾病的方法。

  公开号：

  US20110178140A1
• 作为产物：
  描述：

  三甲基丙酮酸 在 劳森试剂 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.83h， 生成 2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-1H-pyrazol-3-yl)-1,3,4-thiadiazole
  参考文献：
  名称：

  SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS

  摘要：

  一种含硫杂环吡唑烷化合物，化学式为(I)，或其药学上可接受的盐，作为一种大麻素CB1受体的反向激动剂或拮抗剂具有有效性，可用于预防或治疗肥胖和与肥胖相关的代谢性疾病。该预防方法还提供了一种制备相同的方法，含有相同的药物组合物，以及预防或治疗肥胖和与肥胖相关的代谢性疾病的方法。

  公开号：

  US20110178140A1

文献信息

• [EN] SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE TYPE PYRAZOLE-HÉTÉROCYCLE CONTENANT DU SOUFRE EN TANT QU'ANTAGONISTES DES RÉCEPTEURS CANNABINOÏDES CB1
  申请人：GREEN CROSS CORP

  公开号：WO2010035915A1

  公开（公告）日：2010-04-01

  A novel sulfur containing heteroaryl-pyrazole compound of formula (I) or a pharmaceutically acceptable salt thereof is effective as a cannabinoid CB1 receptor inverse agonist or antagonist, which is useful for preventing or treating obesity and obesity-related metabolic disorders. The prevention also provide a method for preparing same, a pharmaceutical composition containing same, and a method for preventing or treating obesity and obesity-related metabolic disorders.

  一种含硫杂环吡唑化合物的新型化合物，其化学式为（I），或其药用可接受的盐，作为大麻素CB1受体的反向激动剂或拮抗剂具有良好效果，可用于预防或治疗肥胖和与肥胖相关的代谢紊乱。该预防方法还提供了一种制备该化合物的方法，含有该化合物的药物组合物，以及预防或治疗肥胖和与肥胖相关的代谢紊乱的方法。
• Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators
  申请人：Peters Dan

  公开号：US20080227773A1

  公开（公告）日：2008-09-18

  This invention relates to novel diazabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemicals substances.

  本发明涉及新型的二氮杂双环芳基衍生物，这些衍生物被发现是乙酰胆碱受体的胆碱能配体，以及单胺类受体和转运体的调节剂。由于它们的药理特性，本发明的化合物可能对治疗与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍，平滑肌收缩相关的疾病或障碍，内分泌疾病或障碍，神经退行性疾病或障碍，炎症、疼痛以及因滥用化学物质的终止而引起的戒断症状等多种疾病或障碍具有用处。
• DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS
  申请人：PETERS Dan

  公开号：US20100113428A1

  公开（公告）日：2010-05-06

  This invention relates to novel diazabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的二氮杂双环芳基衍生物，其在尼古丁酸乙酰胆碱受体上被发现为胆碱能配体，并且是单胺类受体和转运体的调节剂。由于它们的药理学特性，本发明的化合物可能有用于治疗与中枢神经系统（CNS）的胆碱能系统、外周神经系统（PNS）、平滑肌收缩相关的疾病或障碍、内分泌疾病或障碍、神经退行性疾病或障碍、炎症相关的疾病或障碍、疼痛以及化学物质滥用终止引起的戒断症状等多种疾病或障碍的治疗。
• Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists
  申请人：Green Cross Corporation

  公开号：US08309584B2

  公开（公告）日：2012-11-13

  A novel sulfur containing heteroaryl-pyrazole compound of formula (I) or a pharmaceutically acceptable salt thereof is effective as a cannabinoid CB1 receptor inverse agonist or antagonist, which is useful for preventing or treating obesity and obesity-related metabolic disorders. The prevention also provide a method for preparing same, a pharmaceutical composition containing same, and a method for preventing or treating obesity and obesity-related metabolic disorders.

  化合物(I)或其药学上可接受的盐，是一种含硫杂环吡唑化合物，可作为大麻素CB1受体的反向激动剂或拮抗剂，对预防或治疗肥胖和肥胖相关代谢紊乱有效。本发明还提供了制备该化合物的方法，包含该化合物的制剂组合物，以及预防或治疗肥胖和肥胖相关代谢紊乱的方法。
• Diazabicyclic aryl derivatives as cholinergic receptor modulators
  申请人：NeuroSearch A/S

  公开号：EP2172469A1

  公开（公告）日：2010-04-07

  This invention relates to novel diazabicyclic aryl derivatives, which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及新型重氮双环芳基衍生物，它们是烟碱乙酰胆碱受体的胆碱能配体，也是单胺受体和转运体的调节剂。由于其药理特性，本发明化合物可用于治疗各种疾病或紊乱，如与中枢神经系统（CNS）、周围神经系统（PNS）的胆碱能系统有关的疾病或紊乱、与平滑肌收缩有关的疾病或紊乱、内分泌疾病或紊乱、与神经变性有关的疾病或紊乱、与炎症有关的疾病或紊乱、疼痛以及因终止滥用化学物质而引起的戒断症状。