Methyl 1-(2-hydroxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylate | 1200497-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Methyl 1-(2-hydroxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylate
• CAS: 1200497-63-7
• 化学式: C₁₂H₁₉N₃O₅
• 分子量: 285.3
• InChiKey: YSWMVCVZIJKHOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 1-(2-hydroxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylate 在 三叔丁基膦 、 偶氮二甲酸二异丙酯 、 叠氮磷酸二苯酯 、 水 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 10.0h， 生成 tert-Butyl 6-(Benzyloxycarbonylamino)-2,3-Dihydro-1H-Imidazo{1,2-b]pyrazole-1-carboxylate
  参考文献：
  名称：

  [EN] 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS
  [FR] 6-HETERO-ARYLOXY-BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2

  摘要：

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  公开号：

  WO2023086319A1
• 作为产物：
  描述：

  3,5-dimethyl 1-[2-(benzyloxy)ethyl]-1H-pyrazole-3,5-dicarboxylate 在 叠氮磷酸二苯酯 、 氢气 、 palladium(II) hydroxide 、 三乙胺 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 27.0h， 生成 Methyl 1-(2-hydroxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylate
  参考文献：
  名称：

  [EN] 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS
  [FR] 6-HETERO-ARYLOXY-BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2

  摘要：

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  公开号：

  WO2023086319A1

文献信息

• RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY
  申请人：Shionogi&Co., Ltd.

  公开号：EP2327704A1

  公开（公告）日：2011-06-01

  It is an object of the present invention to provide a compound or a pharmaceutically acceptable salt thereof which inhibits the activity of PI3K to regulate many biological processes including the growth, differentiation, survival, proliferation, migration, metabolism, and the like of cells and is therefore useful for the prophylaxis/therapy of diseases including inflammatory diseases, arteriosclerosis, vascular/circulatory diseases, cancer/tumors, immune system diseases, cell proliferative diseases, infectious diseases, and the like. The above problem was solved by providing a ring-fused azole compound shown in the present specification, or a pharmaceutically acceptable salt thereof.

  本发明的目的是提供一种化合物或其药学上可接受的盐，它能抑制 PI3K 的活性，从而调节许多生物过程，包括细胞的生长、分化、存活、增殖、迁移、新陈代谢等，因此可用于疾病的预防/治疗，包括炎症性疾病、动脉硬化、血管/循环系统疾病、癌症/肿瘤、免疫系统疾病、细胞增殖性疾病、传染性疾病等。通过提供本说明书所示的环融唑类化合物或其药学上可接受的盐，上述问题得以解决。
• UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2426135A1

  公开（公告）日：2012-03-07

  Provided is a compound or a pharmaceutically acceptable salt thereof which inhibits the activity of PI3K to regulate many biological processes including the growth, differentiation, survival, proliferation, migration, metabolism, and the like of cells and is therefore useful for the prophylaxis/therapy of diseases including inflammatory diseases, arteriosclerosis, vascular/circulatory diseases, cancer/tumors, immune system diseases, cell proliferative diseases, infectious diseases, and the like. The above problem was solved by providing a urea derivative shown in the present specification, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种化合物或其药学上可接受的盐，可抑制 PI3K 的活性，从而调节许多生物过程，包括细胞的生长、分化、存活、增殖、迁移、新陈代谢等，因此可用于疾病的预防/治疗，包括炎症性疾病、动脉硬化、血管/循环系统疾病、癌症/肿瘤、免疫系统疾病、细胞增殖性疾病、传染性疾病等。通过提供本说明书所示的脲衍生物或其药学上可接受的盐，上述问题得以解决。
• SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING ß-SECRETASE-INHIBITING ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2305672B1

  公开（公告）日：2019-03-27
• EP2327704
  申请人：——

  公开号：——

  公开（公告）日：——
• SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20160326158A1

  公开（公告）日：2016-11-10

  The following compound is provided as an agent for treating a disease induced by production, secretion and/or deposition of amyloid β protein, for example., a compound represented by the formula (I): wherein ring A in an optionally substituted carbocyclic group or an optionally substituted heterocyclic group. R 1 is optionally substituted lower alkyl or the like, R 2a and R 2b each independently hydrogen, optionally substituted lower alkyl or the like, R 3a and R 3c are each independently hydrogen, halogen, hydroxy, optionally substituted lower alkyl or the like, or a pharmaceutical acceptable salt thereof, or a solvate thereof.