(2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one
• 英文别名: 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(1H-1,2,4-triazol-5-yl)propane-1,3-dione
• 化学式: C₁₆H₁₂FN₃O₃
• 分子量: 313.28
• InChiKey: RQQWCYPROZEXIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections
  申请人：Emory University

  公开号：US10022378B2

  公开（公告）日：2018-07-17

  Compounds, compositions, and methods of treatment and prevention of HIV infection are disclosed. The compounds are pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidine JAK inhibitors. Combinations of these JAK inhibitors and additional antiretroviral compounds, such as NRTI, NNRTI, integrase inhibitors, entry inhibitors, protease inhibitors, and the like, are also disclosed. In one embodiment, the combinations include a combination of adenine, cytosine, thymidine, and guanine nucleoside antiviral agents, optionally in further combination with at least one additional antiviral agent that works via a different mechanism than a nucleoside analog. This combination has the potential to eliminate the presence of HIV in an infected patient.

  本研究公开了治疗和预防艾滋病毒感染的化合物、组合物和方法。这些化合物是吡咯并[2,3-b]吡啶和吡咯并[2,3-b]嘧啶 JAK 抑制剂。还公开了这些 JAK 抑制剂与其他抗逆转录病毒化合物（如 NRTI、NNRTI、整合酶抑制剂、入口抑制剂、蛋白酶抑制剂等）的组合。在一个实施方案中，组合物包括腺嘌呤、胞嘧啶、胸腺嘧啶和鸟嘌呤核苷类抗病毒剂的组合，可选择与至少一种通过与核苷类似物不同的机制起作用的额外抗病毒剂进一步组合。这种组合有可能消除感染病人体内的艾滋病毒。
• Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection
  申请人：EMORY UNIVERSITY

  公开号：US10765679B2

  公开（公告）日：2020-09-08

  Compounds, compositions, and methods of treatment and prevention of HIV, including HIV-1 and HIV-2, Dengue, and Chikungunya infection are disclosed. The compounds are TREM-1 inhibitors. Combinations of these TREM-1 inhibitors and additional antiretroviral compounds, such as NRTI, NNRTI, integrase inhibitors, entry inhibitors, protease inhibitors, JAK inhibitors, macrophage depleting agents, and the like, are also disclosed. In one embodiment, the combinations include a combination of adenine, cytosine, thymidine, and guanine nucleoside antiviral agents, optionally in further combination with at least one additional antiviral agent that works via a different mechanism than a nucleoside analog. This combination has the potential to eliminate the presence of HIV, Dengue, or Chikungunya virus in an infected patient.

  本研究公开了治疗和预防 HIV（包括 HIV-1 和 HIV-2）、登革热和基孔肯雅病毒感染的化合物、组合物和方法。这些化合物是 TREM-1 抑制剂。这些 TREM-1 抑制剂与其他抗逆转录病毒化合物，如 NRTI、NNRTI、整合酶抑制剂、入口抑制剂、蛋白酶抑制剂、JAK 抑制剂、巨噬细胞消耗剂等的组合也已公开。在一个实施方案中，这些组合包括腺嘌呤、胞嘧啶、胸腺嘧啶和鸟嘌呤核苷类抗病毒药的组合，可选择与至少一种通过不同于核苷类似物的机制起作用的额外抗病毒药进一步组合。这种组合有可能消除感染病人体内的艾滋病毒、登革热或基孔肯雅病毒。
• Antiviral JAK inhibitors useful in treating or preventing coronaviridae infections
  申请人：Emory University

  公开号：US11045474B2

  公开（公告）日：2021-06-29

  Compounds, compositions, and methods of treatment and prevention of HIV infection are disclosed. The compounds are pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidine JAK inhibitors. Combinations of these JAK inhibitors and additional antiretroviral compounds, such as NRTI, NNRTI, integrase inhibitors, entry inhibitors, protease inhibitors, and the like, are also disclosed. In one embodiment, the combinations include a combination of adenine, cytosine, thymidine, and guanine nucleoside antiviral agents, optionally in further combination with at least one additional antiviral agent that works via a different mechanism than a nucleoside analog. This combination has the potential to eliminate the presence of HIV in an infected patient.

  本研究公开了治疗和预防艾滋病毒感染的化合物、组合物和方法。这些化合物是吡咯并[2,3-b]吡啶和吡咯并[2,3-b]嘧啶 JAK 抑制剂。还公开了这些 JAK 抑制剂与其他抗逆转录病毒化合物（如 NRTI、NNRTI、整合酶抑制剂、入口抑制剂、蛋白酶抑制剂等）的组合。在一个实施方案中，组合物包括腺嘌呤、胞嘧啶、胸腺嘧啶和鸟嘌呤核苷类抗病毒剂的组合，可选择与至少一种通过与核苷类似物不同的机制起作用的额外抗病毒剂进一步组合。这种组合有可能消除感染病人体内的艾滋病毒。
• ANTIVIRAL JAK INHIBITORS USEFUL IN TREATING OR PREVENTING RETROVIRAL AND OTHER VIRAL INFECTIONS
  申请人：Emory University

  公开号：US20140328793A1

  公开（公告）日：2014-11-06

  Compounds, compositions, and methods of treatment and prevention of HIV infection are disclosed. The compounds are pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidine JAK inhibitors. Combinations of these JAK inhibitors and additional antiretroviral compounds, such as NRTI, NNRTI, integrase inhibitors, entry inhibitors, protease inhibitors, and the like, are also disclosed. In one embodiment, the combinations include a combination of adenine, cytosine, thymidine, and guanine nucleoside antiviral agents, optionally in further combination with at least one additional antiviral agent that works via a different mechanism than a nucleoside analog. This combination has the potential to eliminate the presence of HIV in an infected patient.
• TREATMENT OF LATENT HIV INFECTION
  申请人：VOLPE Joseph M

  公开号：US20150320893A1

  公开（公告）日：2015-11-12

  Methods for treating HIV positive patients, and purging and eradicating latent HIV virus from a patient's system, are disclosed. The bulk of viral load is eradicated using conventional antiretroviral (ARV) therapy. Compounds that encourage viral production in the latent cells are then administered, preferably without activating those cells, while maintaining the ARV therapy. The administration of compounds that encourage viral production in latent cells is cycled, and after around 7-10 cycles, the methods can virtually eliminate latent HIV in the patient. Ideally, the ARV regimen includes at least one integrase inhibitor, at least one entry inhibitor, such as a CCR5 antagonist, and at least one, and preferably two, reverse transcriptase inhibitors. The compounds that encourage viral production in latent cells ideally include a combination of prostratin or a prostratin analog and an HDAC inhibitor, such as butyrate, valproate, or SAHA.