3-{4-[(3-aminopropyl)amino]-1,2,5-oxadiazol-3-yl}-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one trifluoroacetate | 1204669-86-2

• 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: 3-{4-[(3-aminopropyl)amino]-1,2,5-oxadiazol-3-yl}-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one trifluoroacetate
• 英文别名: 3-{4-[(3-Aminopropyl)amino]-1,2,5-oxadiazol-3-yl}-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one trifluoroacetate；3-[4-(3-aminopropylamino)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one;2,2,2-trifluoroacetic acid
• CAS: 1204669-86-2
• 化学式: C₂HF₃O₂*C₁₃H₁₂ClFN₆O₃
• 分子量: 468.752
• InChiKey: KFWAXOSLUFFVLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  156
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one 在 吡啶 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.42h， 生成 3-{4-[(3-aminopropyl)amino]-1,2,5-oxadiazol-3-yl}-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one trifluoroacetate
  参考文献：
  名称：

  [EN] SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER
  [FR] COMBINAISON SYNERGIQUE D'INHIBITEURS IMMUNOLOGIQUES POUR LE TRAITEMENT DU CANCER

  摘要：

  在一些实施方式中，这些方法涉及至少两种以下物质的组合使用：缓解吲哚胺-2,3-二氧化酶（IDO）的抑制剂、PD-L1/PD-1通路的抑制剂、CTLA-4的抑制剂、CD25的抑制剂或IL-7。发明者特别观察到将抗CTLA-4与IDO抑制剂、抗PD-L1单抗或CD-25耗尽结合的主要协同作用。这些组合已被发现在治疗癌症和肿瘤中展现出协同作用，例如通过减小肿瘤大小、增加特异性抗原T细胞的百分比以及增强T细胞功能。

  公开号：

  WO2014066834A1

文献信息

• 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE
  申请人：Combs Andrew P.

  公开号：US20100015178A1

  公开（公告）日：2010-01-21

  The present invention is directed to 1,2,5-oxadiazole derivatives, and compositions of the same, which are inhibitors of indoleamine 2,3-dioxygenase and are useful in the treatment of cancer and other disorders, and to the processes and intermediates for making such 1,2,5-oxadiazole derivatives.

  本发明涉及1,2,5-噁二唑衍生物及其组合物，它们是色胺酸2,3-双氧酶的抑制剂，可用于治疗癌症和其他疾病，并涉及制备此类1,2,5-噁二唑衍生物的过程和中间体。
• 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase
  申请人：Incyte Corporation

  公开号：US09320732B2

  公开（公告）日：2016-04-26

  The present invention is directed to 1,2,5-oxadiazole derivatives, and compositions of the same, which are inhibitors of indoleamine 2,3-dioxygenase and are useful in the treatment of cancer and other disorders, and to the processes and intermediates for making such 1,2,5-oxadiazole derivatives.

  本发明涉及1,2,5-噁二唑衍生物及其组合物，其为吲哚胺2,3-二氧化酶的抑制剂，并且在癌症和其他疾病的治疗中有用，以及用于制备此类1,2,5-噁二唑衍生物的过程和中间体。
• 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase
  申请人：Incyte Corporation

  公开号：US20150190378A1

  公开（公告）日：2015-07-09

  The present invention is directed to 1,2,5-oxadiazole derivatives, and compositions of the same, which are inhibitors of indoleamine 2,3-dioxygenase and are useful in the treatment of cancer and other disorders, and to the processes and intermediates for making such 1,2,5-oxadiazole derivatives.

  本发明涉及1,2,5-噁二唑衍生物及其组合物，其为色胺2,3-二氧化酶抑制剂，可用于治疗癌症和其他疾病，并涉及制备此类1,2,5-噁二唑衍生物的过程和中间体。
• 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase
  申请人：Combs Andrew P.

  公开号：US20120058079A1

  公开（公告）日：2012-03-08

  The present invention is directed to 1,2,5-oxadiazole derivatives, and compositions of the same, which are inhibitors of indoleamine 2,3-dioxygenase and are useful in the treatment of cancer and other disorders, and to the processes and intermediates for making such 1,2,5-oxadiazole derivatives.

  本发明涉及1,2,5-噁二唑衍生物及其组合物，它们是吲哚胺2,3-双加氧酶的抑制剂，在癌症和其他疾病的治疗中有用，并涉及制备这种1,2,5-噁二唑衍生物的过程和中间体。
• 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3-Dioxygenase
  申请人：Combs Andrew P.

  公开号：US20140023663A1

  公开（公告）日：2014-01-23

  The present invention is directed to 1,2,5-oxadiazole derivatives, and compositions of the same, which are inhibitors of indoleamine 2,3-dioxygenase and are useful in the treatment of cancer and other disorders, and to the processes and intermediates for making such 1,2,5-oxadiazole derivatives.

  本发明涉及1,2,5-噁二唑衍生物及其组合物，其是色胺酸2,3-双加氧酶的抑制剂，并可用于治疗癌症和其他疾病，以及制造此类1,2,5-噁二唑衍生物的过程和中间体。