3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxanilide | 101569-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxanilide
• 英文别名: 3-methyl-5-oxo-N,1-diphenyl-4,5-dihydro-1H-pyrazole-4-carboxamide；5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid anilide；3-methyl-5-oxo-N,1-diphenyl-4H-pyrazole-4-carboxamide
• CAS: 101569-90-8
• 化学式: C₁₇H₁₅N₃O₂
• 分子量: 293.325
• InChiKey: ZQJNOHCIBTYJAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid phenylamide; compound with triethyl-amine 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 生成 3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxanilide
  参考文献：
  名称：

  在三乙胺存在下异氰酸酯与含有活性亚甲基的化合物反应中的环化

  摘要：

  描述了异氰酸酯与含有活性亚甲基的化合物在三乙胺存在下的新反应。该反应得到吡咯烷-2,3,5-三酮和巴比妥酸的衍生物。

  DOI：

  10.1007/s11172-006-0345-5

文献信息

• ACSS2 inhibitors and methods of use thereof
  申请人：METABOMED LTD.

  公开号：US10851064B2

  公开（公告）日：2020-12-01

  The present invention relates to novel ACSS2 inhibitors having activity as anti-cancer therapy, treatment of alcoholism, and viral infection (e.g., CMV), composition and methods of preparation thereof, and uses thereof for treating viral infection, alcoholism, alcoholic steatohepatitis (ASH), non-alcoholic steatohepatitis (NASH), obesity/weight gain, anxiety, depression, post-traumatic stress disorder, inflammatory/autoimmune conditions and cancer, including metastatic cancer, advanced cancer, and drug resistant cancer of various types.

  本发明涉及具有抗癌疗法、治疗酒精中毒和病毒感染（如CMV）活性的新型ACSS2抑制剂、其组合物和制备方法，以及其在治疗病毒感染、酒精中毒、酒精性脂肪性肝炎（ASH）、非酒精性脂肪性肝炎（NASH）中的用途、CMV）、其组合物和制备方法，以及其在治疗病毒感染、酗酒、酒精性脂肪性肝炎（ASH）、非酒精性脂肪性肝炎（NASH）、肥胖/体重增加、焦虑、抑郁、创伤后应激障碍、炎症/自身免疫性疾病和癌症（包括转移性癌症、晚期癌症和各种类型的耐药性癌症）方面的用途。
• ACSS2 INHIBITORS AND METHODS OF USE THEREOF
  申请人：METABOMED LTD.

  公开号：US20190263758A1

  公开（公告）日：2019-08-29

  The present invention relates to novel ACSS2 inhibitors having activity as anti-cancer therapy, treatment of alcoholism, and viral infection (e.g., CMV), composition and methods of preparation thereof, and uses thereof for treating viral infection, alcoholism, alcoholic steatohepatitis (ASH), non-alcoholic steatohepatitis (NASH), obesity/weight gain, anxiety, depression, post-traumatic stress disorder, inflammatory/autoimmune conditions and cancer, including metastatic cancer, advanced cancer, and drug resistant cancer of various types.
• [EN] ACSS2 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS D'ACSS2 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：METABOMED LTD

  公开号：WO2020230136A1

  公开（公告）日：2020-11-19

  The present invention relates to novel ACSS2 inhibitors having activity as anti-cancer therapy, treatment of alcoholism, and viral infection (e.g., CMV), composition and methods of preparation thereof, and uses thereof for treating viral infection, alcoholism, alcoholic steatohepatitis (ASH), non-alcoholic steatohepatitis (NASH), obesity/weight gain, anxiety, depression, post-traumatic stress disorder, inflammatory/autoimmune conditions and cancer, including metastatic cancer, advanced cancer, and dmg resistant cancer of various types.