tert-butyl 4-(2-(4-fluorophenyl)-2-oxoethyl)piperazine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 4-(2-(4-fluorophenyl)-2-oxoethyl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate
• 化学式: C₁₇H₂₃FN₂O₃
• mdl: MFCD24467127
• 分子量: 322.38
• InChiKey: XBZVOOTUCLBUEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-(4-fluorophenyl)-2-oxoethyl)piperazine-1-carboxylate 在 hydrazine hydrate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 tert-butyl 4-(3-(4-fluorophenyl)-1H-pyrazol-4-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  发现针对 5-HT7R 的 G 蛋白偏向拮抗剂

  摘要：

  5-HT 7 R 属于 G 蛋白偶联受体家族，通过激活神经递质血清素 (5-HT) 与中枢神经系统的各种生理过程相关。为了开发选择性和偏向性 5-HT 7 R 配体，我们设计并合成了一系列吡唑基-二氮杂2和吡唑基-哌嗪3，评估了它们对 5-HTR 亚型的结合亲和力以及对 G 蛋白和 β-抑制蛋白的功能选择性5-HT 7 R 的信号通路。其中，1-(3-(3-chlorophenyl)-1 H -pyrazol-4-yl)-1,4-diazepane 2c对 5-HT 7 的结合亲和力最好R 和对其他 5-HTR 亚型的选择性。它也被揭示为偏向 G 蛋白的拮抗剂。用2c体内的 Shank3 –/–转基因 (TG) 小鼠进行自我修饰行为测试，其中2c将自我修饰持续时间显着减少到野生型小鼠的水平。结果表明，5-HT 7 R 可能是治疗自闭症谱系障碍刻板印象的潜在治疗靶点。

  DOI：

  10.1021/acs.jmedchem.1c01093
• 作为产物：
  描述：

  2-氯代-4'-氟苯乙酮 、 N-Boc-哌嗪 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以10 g的产率得到tert-butyl 4-(2-(4-fluorophenyl)-2-oxoethyl)piperazine-1-carboxylate
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP2933247B1

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。
• IMIDAZO[1,2-A]PYRIDINE 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：US20110263592A1

  公开（公告）日：2011-10-27

  Imidazo[1,2-α]pyridine derivatives 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 insomnia, dyssomnia, parasomnia and related sleep disorders, platelet aggregation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, thrombosis, 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 methods for the treatment of 5-HT 2A serotonin receptor mediated disorders in combination with other pharmaceutical agents administered separately or together.

  公式（Ia）的咪唑[1,2-α]吡啶衍生物及其制药组合物，可调节5-HT2A 5-羟色胺受体的活性。该化合物及其制药组合物适用于治疗失眠、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、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 Ia Tourette综合症、躁狂障碍、器质性或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精神分裂症及相关疾病、糖尿病相关疾病、进行性多灶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 5-羟色胺受体介导的疾病的方法。
• 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：US09434692B2

  公开（公告）日：2016-09-06

  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 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-HT2A serotonin receptor mediated disorders in combination with other pharmaceutical agents administered separately or together.

  公式（Ia）的吡唑衍生物及其制药组合物，可调节血清素5HT2A受体的活性。公式（Ia）的化合物和制药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，短暂性缺血性发作，心绞痛，中风，房颤，减少血栓形成风险，哮喘或其症状，激动或其症状，行为障碍，药物诱导的精神病，兴奋性精神病，Gilles de Ia Tourette综合征，躁狂障碍，器质性或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。本发明还涉及用于治疗5-HT2A血清素受体介导的疾病的方法，该方法与单独或联合使用的其他制药剂量组合。
• [EN] MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME<br/>[FR] MODULATEURS DE LA PROTÉINE PHOSPHATASE 2A (PP2A) ET LEURS PROCÉDÉS D'UTILISATION
  申请人：RAPPTA THERAPEUTICS OY

  公开号：WO2022167866A1

  公开（公告）日：2022-08-11

  The present disclosure relates in part to chemical modulators of protein phosphatase 2A (PP2A), comprising formula (I). The compounds of the present disclosure are useful in treating, preventing, and/or ameliorating cancer, diabetes, autoimmune disease, solid organ transplant rejection, graft vs host disease, chronic obstructive pulmonary disease (COPD), non-alcoholic fatty liver disease, abdominal aortic aneurysm, chronic liver disease, heart failure, neurodegenerative disease, and cardiac hypertrophy.

  本公开涉及部分与蛋白磷酸酶2A（PP2A）的化学调节剂有关，包括式（I）的化合物。本公开的化合物在治疗、预防和/或改善癌症、糖尿病、自身免疫疾病、固体器官移植排斥、移植物抗宿主病、慢性阻塞性肺疾病（COPD）、非酒精性脂肪性肝病、腹主动脉瘤、慢性肝病、心力衰竭、神经退行性疾病和心肌肥厚方面具有用处。
• Heterocyclic compounds having cholesterol 24-hydroxylase activity
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US10112956B2

  公开（公告）日：2018-10-30

  An object of the present invention is to provide a compound having a superior CH24H inhibitory action, which is useful as an agent for the prophylaxis or treatment of epilepsy, neurodegenerative disease and the like. The present invention relates to a compound represented by the formula: wherein each symbol is as defined in the specification, or a salt thereof.

  本发明的目的是提供一种具有优异的 CH24H 抑制作用的化合物，该化合物可用作预防或治疗癫痫、神经退行性疾病等的药物。本发明涉及一种由式表示的化合物： 其中各符号如说明书中所定义，或其盐。