N-(4-(2-nitro-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide | 958263-65-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-(2-nitro-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide
• 英文别名: N-[3-(4-chloro-2-methylpyrazol-3-yl)-4-(2-methyl-2-nitropropoxy)phenyl]-3-(trifluoromethyl)benzamide
• CAS: 958263-65-5
• 化学式: C₂₂H₂₀ClF₃N₄O₄
• 分子量: 496.873
• InChiKey: UWIJOEZLDICMGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(4-(2-nitro-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide 在 甲醇 、 乙酰氯 、 锌 作用下， 反应 1.0h， 生成 N-(4-(2-amino-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  WO2007/136680

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-hydroxyphenyl)-3-(trifluoromethyl)benzamide 、 methanesulphonic acid (2-methyl-2-nitropropyl)-ester 在 caesium carbonate 作用下， 以 异丁酰胺 为溶剂， 反应 1.0h， 以68%的产率得到N-(4-(2-nitro-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  WO2007/136703

  摘要：

  公开号：

文献信息

• Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto
  申请人：TEEGARDEN BRADLEY

  公开号：US20120270861A1

  公开（公告）日：2012-10-25

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT 2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggreagation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT 2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及式(Ia)的某些化合物及其制药组合物，这些化合物调节5-HT2A 5-羟色胺受体的活性。这些化合物及其制药组合物用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性脑缺血发作、心绞痛、中风、心房颤动、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物诱导的精神病、兴奋性精神病、Gilles de la Tourette综合征、躁狂障碍、器质性或非器质性精神病、精神病、急性精神分裂症、慢性精神分裂症、非特异性精神分裂症及相关疾病以及睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等方面的治疗方法。本发明还涉及与其他药物分别或同时给予的联合治疗5-HT2A 5-羟色胺受体相关疾病的方法。
• ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO
  申请人：TEEGARDEN BRADLEY

  公开号：US20120295938A1

  公开（公告）日：2012-11-22

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及公式（Ia）的某些化合物及其制药组合物，其调节5-HT2A血清素受体的活性。该化合物和制药组合物针对的方法有助于治疗血小板聚集、冠状动脉疾病、心肌梗死、暂时性脑缺血发作、心绞痛、中风、心房颤动、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物诱发的精神病、兴奋性精神病、Gilles de la Tourette综合症、躁狂障碍、器质性或NOS精神病、精神病、急性精神分裂症、慢性精神分裂症、NOS精神分裂症及相关疾病、睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等。本发明还涉及与其他药物分别或联合使用治疗5-HT2A血清素受体相关疾病的方法。
• Ethers, secondary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US08148418B2

  公开（公告）日：2012-04-03

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggreagation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及一些公式（Ia）的化合物及其药物组成物，该化合物调节5-HT2A血清素受体的活性。该化合物和药物组成物的应用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性缺血性发作、心绞痛、中风、房颤、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物引起的精神病、兴奋性精神病、Gilles de la Tourette综合症、躁狂障碍、器质性或非器质性精神病、精神障碍、急性精神分裂症、慢性精神分裂症、非器质性精神分裂症及相关疾病、睡眠障碍、糖尿病相关疾病、进行性多发性白质脑病等治疗方法。本发明还涉及与其他药物分别或联合使用治疗5-HT2A血清素受体相关疾病的方法。
• Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US08148417B2

  公开（公告）日：2012-04-03

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及式(Ia)的某些化合物及其药物组合物，可调节5-HT2A血清素受体的活性。这些化合物和药物组合物适用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性脑缺血发作、心绞痛、中风、房颤、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物诱导性精神病、兴奋性精神病、Gilles de la Tourette综合症、躁狂障碍、器质性或NOS精神病、精神病、急性精神分裂症、慢性精神分裂症、NOS精神分裂症及相关疾病、睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等的治疗方法。本发明还涉及联合其他药物单独或联合给药治疗5-HT2A血清素受体相关疾病的方法。
• ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT 2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO
  申请人：TEEGARDEN BRADLEY

  公开号：US20140163032A1

  公开（公告）日：2014-06-12

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT 2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT 2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及公式（Ia）的某些化合物及其制药组合物，它们能够调节5-HT2A 5-羟色胺受体的活性。这些化合物和制药组合物适用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性脑缺血发作、心绞痛、中风、心房颤动、血栓形成、哮喘或其症状、烦躁或其症状、行为障碍、药物诱导的精神病、兴奋性精神病、Gilles de la Tourette综合征、躁狂障碍、器质性或非器质性精神病、精神病、急性精神分裂症、慢性精神分裂症、非特定性精神分裂症及相关疾病、睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等的治疗方法。本发明还涉及与其他药物分别或联合给药治疗5-HT2A 5-羟色胺受体相关疾病的方法。