1-甲基-3-苯基-1H-吡唑-5-羰酰氯 | 864068-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-甲基-3-苯基-1H-吡唑-5-羰酰氯
• 英文名称: 1-methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
• 英文别名: 2-methyl-5-phenylpyrazole-3-carbonyl chloride
• CAS: 864068-95-1
• 化学式: C₁₁H₉ClN₂O
• mdl: MFCD08271940
• 分子量: 220.658
• InChiKey: YTYWUDWSOXANNS-UHFFFAOYSA-N

物化性质

• 熔点：
  88 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 危险类别码：
  R14,R22,R29,R34
• 危险品运输编号：
  3261
• 海关编码：
  2933199090
• 安全说明：
  S22,S26,S30,S36/37/39,S45,S8

反应信息

• 作为反应物：
  描述：

  1-甲基-3-苯基-1H-吡唑-5-羰酰氯 、 三氟乙酸 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-fluoro-phenyl)-2-[4-(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]-ethanone trifluoroacetate
  参考文献：
  名称：

  WO2008/42388

  摘要：

  公开号：

文献信息

• PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO
  申请人：Xiong Yifeng

  公开号：US20100004264A1

  公开（公告）日：2010-01-07

  Pyrazole derivatives of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the serotonin 5HT 2A receptor. Formula (Ia). Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of insomnia and related sleep disorders, platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, reducing the risk of blood clot formation, asthma or symptoms thereof, agitation or symptoms thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de Ia Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorders, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related 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 mediated disorders in combination with other pharmaceutical agents administered separately or together.

  化合物公式（Ia）的吡唑衍生物及其药物组成物可调节5HT2A血清素受体的活性。化合物公式（Ia）及其药物组成物用于治疗失眠和相关睡眠障碍、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、降低血栓形成的风险、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 Ia Tourette综合征、躁狂障碍、有机或NOS精神病、精神病性障碍、急性精神分裂症、慢性精神分裂症、NOS精神分裂症及相关障碍、糖尿病相关障碍、进行性多灶性白质脑病等。本发明还涉及联合单独或同时给予其他药物制剂的方法，用于治疗5-HT2A血清素受体介导的疾病。
• Pyrazole derivatives 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：US10351531B2

  公开（公告）日：2019-07-16

  Pyrazole derivatives of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the serotonin 5HT2A receptor. Formula (Ia). Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of insomnia and related sleep disorders, platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, reducing the risk of blood clot formation, asthma or symptoms thereof, agitation or symptoms thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorders, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related 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 mediated disorders in combination with other pharmaceutical agents administered separately or together.

  可调节血清素 5HT2A 受体活性的式 (Ia) 吡唑衍生物及其药物组合物。式 (Ia)。其化合物和药物组合物用于治疗失眠和相关睡眠障碍、血小板聚集、冠状动脉疾病、心肌梗塞、短暂性脑缺血发作、心绞痛、中风、心房颤动、降低血栓形成风险、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、抽动秽语综合征、躁狂症、器质性或非器质性精神病、精神障碍、精神病、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、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剂单独或联合给药治疗 5-HT2A 血清素受体介导的疾病的方法。
• BETA-LACTAMASE INHIBITORS
  申请人：Protez Pharmaceuticals, Inc.

  公开号：EP2220097A1

  公开（公告）日：2010-08-25
• US9434692B2
  申请人：——

  公开号：US9434692B2

  公开（公告）日：2016-09-06
• US9732039B2
  申请人：——

  公开号：US9732039B2

  公开（公告）日：2017-08-15