tert-butyl 2-(3-chlorobenzoyl)hydrazinecarboxylate | 351892-45-0

• 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: tert-butyl 2-(3-chlorobenzoyl)hydrazinecarboxylate
• 英文别名: tert-butyl N-[(3-chlorobenzoyl)amino]carbamate
• CAS: 351892-45-0
• 化学式: C₁₂H₁₅ClN₂O₃
• mdl: MFCD01608830
• 分子量: 270.716
• InChiKey: OYHLWWVATCHCOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(3-chlorobenzoyl)hydrazinecarboxylate 生成 3-氯苯甲酰肼
  参考文献：
  名称：

  Discovery and SAR of hydrazide antagonists of the pituitary adenylate cyclase-activating polypeptide (PACAP) receptor type 1 (PAC1-R)

  摘要：

  Potent small molecule antagonists for the PAC(1)-R have been discovered. Previously known antagonists for the PAC(1)-R were slightly truncated peptide ligands. The hydrazides reported here are the first small molecule antagonists ever reported for this class B GPCR. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.052
• 作为产物：
  描述：

  3-氯苯甲酰氯 、 肼基甲酸叔丁酯 生成 tert-butyl 2-(3-chlorobenzoyl)hydrazinecarboxylate
  参考文献：
  名称：

  1, 2, 4-TRIAZOLONE DERIVATIVE

  摘要：

  本发明提供一种由式（1A）表示的1,2,4-三唑酮衍生物或其药学上可接受的盐，具有对精氨酸加压素1b受体的拮抗活性，并提供了一种包含该化合物或盐作为活性成分的药物组合物，特别是在情绪障碍、焦虑症、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、肠道疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中表现出良好药代动力学的治疗或预防剂。

  公开号：

  US20130197217A1

文献信息

• 1, 2, 4-TRIAZOLONE DERIVATIVE
  申请人：Kuwada Takeshi

  公开号：US20130197217A1

  公开（公告）日：2013-08-01

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供了一种1,2,4-三唑酮衍生物，其表示为式（1A），具有对精氨酸加压素1b受体的拮抗活性或其药用盐，并提供了包含该化合物或盐作为活性成分的药物组合物，特别是在诸如情绪障碍、焦虑障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中展现良好药代动力学的治疗或预防剂。
• Synthesis of Acyl Hydrazides via a Radical Chemistry of Azocarboxylic <i>tert</i>-Butyl Esters
  作者：Hong-Xia Zhang、Rui-Li Guo、Xing-Long Zhang、Meng-Yue Wang、Bao-Yin Zhao、Ya-Ru Gao、Qiong Jia、Yong-Qiang Wang

  DOI：10.1021/acs.joc.2c00139

  日期：2022.5.20

  compounds, that is, addition of free radicals generated in situ to access various acyl hydrazides, has been developed. The protocol provides a novel strategy for the synthesis of valuable acyl hydrazides. The transformation features mild reaction conditions, good tolerance of functional groups, and a broad substrate scope. In view of the importance of acyl hydrazides in functional materials and medicinal

  已开发出一种新的偶氮化合物化学，即添加原位产生的自由基以获取各种酰肼。该协议为合成有价值的酰肼提供了一种新的策略。该转化反应条件温和，官能团耐受性好，底物适用范围广。鉴于酰肼在功能材料和药物化学中的重要性，这种方法将得到广泛的应用。
• US9193695B2
  申请人：——

  公开号：US9193695B2

  公开（公告）日：2015-11-24
• Discovery and SAR of hydrazide antagonists of the pituitary adenylate cyclase-activating polypeptide (PACAP) receptor type 1 (PAC1-R)
  作者：Xenia Beebe、Daria Darczak、Rachel A. Davis-Taber、Marie E. Uchic、Victoria E. Scott、Michael F. Jarvis、Andrew O. Stewart

  DOI：10.1016/j.bmcl.2008.01.052

  日期：2008.3

  Potent small molecule antagonists for the PAC(1)-R have been discovered. Previously known antagonists for the PAC(1)-R were slightly truncated peptide ligands. The hydrazides reported here are the first small molecule antagonists ever reported for this class B GPCR. (C) 2008 Elsevier Ltd. All rights reserved.
• 1, 2, 4-triazolone derivative and use thereof as an antagonist on the arginine-vasopressin 1B receptor
  申请人：Kuwada Takeshi

  公开号：US09193695B2

  公开（公告）日：2015-11-24

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供一种1,2,4-三唑酮衍生物，其由式（1A）表示，具有对精氨酸加压素1b受体的拮抗活性或其药学上可接受的盐，并提供一种含有该化合物或盐作为活性成分的药物组合物，特别是在情绪障碍、焦虑障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物成瘾、癫痫、脑梗塞、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中展现良好药代动力学的治疗或预防剂。