N-(cyanomethyl)-2-(4-morpholinophenylamino)thieno[3,2-d]pyrimidine-7-carboxamide | 1152473-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(cyanomethyl)-2-(4-morpholinophenylamino)thieno[3,2-d]pyrimidine-7-carboxamide
• 英文别名: N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidine-7-carboxamide
• CAS: 1152473-70-5
• 化学式: C₁₉H₁₈N₆O₂S
• 分子量: 394.457
• InChiKey: JMINZMMVUOMWOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(4-Morpholin-4-ylanilino)thieno[3,2-d]pyrimidine-7-carboxylic acid 、 氨基乙腈盐酸盐 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.02h， 以86%的产率得到N-(cyanomethyl)-2-(4-morpholinophenylamino)thieno[3,2-d]pyrimidine-7-carboxamide
  参考文献：
  名称：

  [EN] N-CONTAINING HETEROCYCLIC COMPOUNDS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES À TENEUR EN N

  摘要：

  本发明涉及N-含杂环化合物，其为包括JAK激酶在内的蛋白激酶的抑制剂。特别是，这些化合物对JAK1、JAK2、JAK3或TYK2激酶及其组合物如JAK1和JAK2具有选择性。激酶抑制剂可用于治疗与激酶相关的疾病，如免疫性和炎性疾病，包括器官移植；增生性疾病，包括癌症和骨髓增生性疾病；病毒性疾病；代谢性疾病；以及血管性疾病。

  公开号：

  WO2009062258A1

文献信息

• [EN] PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS<br/>[FR] PEPTIDOMIMÉTIQUES POUR LE TRAITEMENT D'INFECTIONS PAR CORONAVIRUS ET PICORNAVIRUS
  申请人：UNIV EMORY

  公开号：WO2020247665A1

  公开（公告）日：2020-12-10

  Compounds, compositions and methods for preventing, treating or curing a coronavirus, picornavirus, and/or Hepeviridae virus infection in human subjects or other animal hosts. Specific viruses that can be treated include enteroviruses. In one embodiment, the compounds can be used to treat an infection with a severe acute respiratory syndrome virus, such as human coronavirus 229E, SARS, MERS, SARS-CoV-1 (OC43), and SARS-CoV- 2. In another embodiment, the methods are used to treat a patient co-infected with two or more of these viruses, or a combination of one or more of these viruses and norovirus.

  用于预防、治疗或治愈人类主体或其他动物宿主中的冠状病毒、小RNA病毒和/或肝炎病毒感染的化合物、组合物和方法。可治疗的特定病毒包括肠病毒。在一个实施例中，这些化合物可用于治疗严重急性呼吸综合征病毒感染，如人类冠状病毒229E、SARS、MERS、SARS-CoV-1（OC43）和SARS-CoV-2。在另一个实施例中，这些方法用于治疗患有两种或更多这些病毒的患者，或一种或多种这些病毒与诺如病毒的组合。
• N-CONTAINING HETEROCYCLIC COMPOUNDS
  申请人：Bourke David Gerard

  公开号：US20110092499A1

  公开（公告）日：2011-04-21

  The present invention relates to N-containing heterocyclic compounds that are inhibitors of protein kinases including JAK kinases. In particular, the compounds are selective for JAK1, JAK2, JAK3 or TYK2 kinases and combinations thereof such as JAK1 and JAK2. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.

  本发明涉及一种含氮杂环化合物，其是蛋白激酶的抑制剂，包括JAK激酶。特别地，这些化合物对JAK1、JAK2、JAK3或TYK2激酶和它们的组合具有选择性，例如JAK1和JAK2。这些激酶抑制剂可用于治疗与激酶相关的疾病，例如免疫和炎症性疾病，包括器官移植；增生性疾病，包括癌症和骨髓增生性疾病；病毒性疾病；代谢性疾病；以及血管性疾病。
• JAK INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF VIRAL INFECTION
  申请人：Emory University

  公开号：EP3750544A2

  公开（公告）日：2020-12-16

  Compounds for use in the treatment or prevention of viral disease caused by a virus selected from the group consisting of an adenovirus, an Alphaviridae, an Arbovirus, an Astro virus, a Bunyaviridae, a Coronaviridae, a Filoviridae, a Flaviviridae, a Hepadnaviridae, a Herpesviridae (such as HSV-1, HSV-2, EBV, CMV), an Alphaherpesvirinae, a Betaherpesvirinae, a Gammaherpesvirinae, a Norwalk Virus, an Astroviridae, a Caliciviridae, an Orthomyxoviridae, a Paramyxoviridae, a Paramyxoviruses, a Rubulavirus, a Morbillivirus, a Papovaviridae, a Parvoviridae, a Picornaviridae, an Aphthoviridae, a Cardioviridae, an Enteroviridae, a Coxsackie virus, a Polio Virus, a Rhinoviridae, a Phycodnaviridae, a Poxviridae, a Reoviridae, a Rotavirus, a Retroviridae, an A-Type Retrovirus, an Immunodeficiency Virus, a Leukemia Viruses, an Avian Sarcoma Viruses, a Rhabdoviruses, a Rubiviridae and a Togaviridae are disclosed. Also disclosed are compounds for use in the treatment or prevention of AIDS-related neurological disorder, AIDS-related complex (ARC), persistent generalized lymphadenopathy (PGL), anti-HIV antibody positive and HIV-positive conditions, Kaposi's sarcoma, thrombocytopenia purpurea or HIV-1-related opportunistic infections. The compounds are pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidine JAK inhibitors.

  用于治疗或预防由选自以下组别的病毒引起的病毒性疾病的化合物：腺病毒、阿尔法病毒科、阿博病毒科、阿斯特罗病毒科、布尼亚病毒科、冠状病毒科、丝状病毒科、弗拉维病毒科、肝病病毒科、疱疹病毒科（如 HSV-1、HSV-2、EBV、CMV）、α-疱疹病毒科、疱疹病毒属（如 HSV-1、HSV-2、EBV、CMV）、疱疹病毒科（如 HSV-1、HSV-2、EBV、CMV）、α疱疹病毒科、β疱疹病毒科、γ疱疹病毒科、诺沃克病毒科、天花病毒科、钙病毒科、正粘病毒科、副粘病毒科副黏液病毒科（Paramyxoviridae）、副黏液病毒属（Paramyxoviruses）、鲁布拉病毒科（Rubulavirus）、莫比利病毒科（Morbillivirus）、巴氏病毒科（Papovaviridae）、副黏液病毒科（Parvoviridae）、皮科病毒科（Picornaviridae）、蚜虫病毒科（Aphthoviridae）、心肌病毒科（Cardioviridae）、肠道病毒科（Enteroviridae）、柯萨奇病毒（Coxsackie virus）、脊髓灰质炎病毒（Polio Virus）、鼻病毒科（Rhinoviridae公开了脊髓灰质炎病毒、鼻病毒科、痘病毒科、脊髓灰质炎病毒科、轮状病毒科、逆转录病毒科、A 型逆转录病毒、免疫缺陷病毒、白血病病毒、禽肉毒瘤病毒、Rhabdoviruses、Rubiviridae 和 Togaviridae。还公开了用于治疗或预防艾滋病相关神经紊乱、艾滋病相关综合征（ARC）、持续性全身淋巴结病（PGL）、抗 HIV 抗体阳性和 HIV 阳性病症、卡波西肉瘤、紫癜性血小板减少症或 HIV-1 相关机会性感染的化合物。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。
• 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。
• Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo
  申请人：Brown Dennis M.

  公开号：US10383847B2

  公开（公告）日：2019-08-20

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutically active agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to therapeutically active agents selected from the group consisting of: (i) indirubin; (ii) an analog of indirubin; (iii) a derivative of indirubin or of an analog of indirubin; and (iv) a pharmaceutical composition comprising indirubin, an analog of indirubin, or a derivative of indirubin or of an analog of indirubin, especially meisoindigo. In particular, the therapeutically active agents selected from the group consisting of: (i) indirubin; (ii) an analog of indirubin; (iii) a derivative of indirubin or of an analog of indirubin; and (iv) a pharmaceutical composition comprising indirubin, an analog of indirubin, or a derivative of indirubin or of an analog of indirubin, especially meisoindigo, are effective Nek9 inhibitors. The active agent, such as meisoindigo, can act as a Nek9 inhibitor. The active agent can be used together with Nek9 inhibitors or agents that inhibit the expression of Nek9.

  本发明描述了通过提高单一疗法的疗效或减少副作用来提高以前受次优治疗性能限制的治疗活性制剂的疗效的方法和组合物。这种方法和组合物特别适用于选自以下组别的治疗活性剂：(i) 靛红素；(ii) 靛红素的类似物；(iii) 靛红素或靛红素类似物的衍生物；(iv) 包含靛红素、靛红素类似物或靛红素或靛红素类似物衍生物的药物组合物，特别是甲异靛。特别是，选自以下组别的治疗活性剂是有效的 Nek9 抑制剂：(i) 靛红素；(ii) 靛红素的类似物；(iii) 靛红素的衍生物或靛红素的类似物；以及 (iv) 由靛红素、靛红素的类似物或靛红素的衍生物或靛红素的类似物，特别是 meisoindigo 组成的药物组合物。活性剂，如 meisoindigo，可作为 Nek9 抑制剂。活性剂可与 Nek9 抑制剂或抑制 Nek9 表达的制剂一起使用。