Talviraline | 163451-80-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Talviraline
• 英文别名: propan-2-yl (2S)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
• CAS: 163451-80-7
• 化学式: C₁₅H₂₀N₂O₃S₂
• 分子量: 340.5
• InChiKey: GWKIPRVERALPRD-ZDUSSCGKSA-N

物化性质

• 沸点：
  471.1±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  77.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  isopropyl (2R)-7-methoxy-2-(methylsulfanylmethyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxylate 生成 Talviraline
  参考文献：
  名称：

  Agents Chemother. 1995, 2253-2257

  摘要：

  DOI：

文献信息

• Phospho-indoles as HIV inhibitors
  申请人：Storer Richard

  公开号：US20060074054A1

  公开（公告）日：2006-04-06

  3-phosphoindole compounds for the treatment of retroviral infections, and particularly for HIV, are described. Also included are compositions comprising the 3-phosphoindole derivatives alone or in combination with one or more other anti-retroviral agents, processes for their preparation, and methods of manufacturing a medicament incorporating these compounds.

  描述了用于治疗逆转录病毒感染，特别是HIV的3-磷酸吲哚化合物。还包括仅含有3-磷酸吲哚衍生物或与一个或多个其他抗逆转录病毒药物组合的组合物，它们的制备过程，以及制造包含这些化合物的药物的方法。
• Tropane derivatives useful in therapy
  申请人：Pfizer Inc.

  公开号：US20040014742A1

  公开（公告）日：2004-01-22

  The present invention provides compounds of formula (I) 1 wherein X, Y, R 1 , R 2 and R 3 are as defined hereinabove. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors. Modulators of the CCR5 receptor may be useful in the treatment of various inflammatory diseases and conditions, and in the treatment of infection by HIV and genetically related retroviruses.

  本发明提供了式(I)中的化合物，其中X、Y、R1、R2和R3如上文所定义。本发明的化合物是化学趋化因子CCR5受体的调节剂，特别是拮抗剂。CCR5受体的调节剂可能在治疗各种炎症性疾病和症状以及治疗HIV和遗传相关逆转录病毒感染方面有用。
• [EN] 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE NUCLÉOSIDES 4'-ALLÈNE-SUBSTITUÉS
  申请人：ENANTA PHARM INC

  公开号：WO2010030858A1

  公开（公告）日：2010-03-18

  The present invention discloses compounds of formula (I), or its β-L enantiomer, or a pharmaceutically acceptable salt, ester, stereoisomer, tautomer, solvate, prodrug, or combination thereof: Formula (I) which inhibit, preventing or treating abnormal cellular proliferation and/or a viral infection, particularly by HIV, HCV or HBV. Consequently, the compounds of the present invention interfere with the replication cycle of a virus and are also useful as antiviral agents, or interfere with host cellular biochemical process and are also useful as antiproliferative agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from viral infection and/or cell proliferation. The invention also relates to methods of treating a viral infection and/or cell proliferation in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral/anti-proliferative compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral infection in a subject in need of such therapy with said compounds.

  本发明揭示了化合物的结构式（I），或其β-L对映体，或药学上可接受的盐、酯、立体异构体、互变异构体、溶剂合物、前药或其组合物：结构式（I），其能够抑制、预防或治疗异常细胞增殖和/或病毒感染，特别是HIV、HCV或HBV。因此，本发明的化合物干扰病毒的复制周期，并且也可作为抗病毒剂使用，或干扰宿主细胞的生化过程，也可作为抗增殖剂使用。本发明还涉及包含上述化合物的药物组合物，用于治疗患有病毒感染和/或细胞增殖的受试者。该发明还涉及通过给患有病毒感染和/或细胞增殖的受试者使用包含本发明化合物的药物组合物来治疗病毒感染和/或细胞增殖的方法。本发明涉及上述新型抗病毒/抗增殖化合物，包括这些化合物的药物组合物和治疗或预防需要此类化疗的受试者的病毒感染的方法。
• NUCLEOSIDE PHOSPHONATE DERIVATIVES
  申请人：Or Yat Sun

  公开号：US20090274686A1

  公开（公告）日：2009-11-05

  The present invention discloses compounds of formula (I) or (II), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit, preventing or treating abnormal cellular proliferation and/or a viral infection, particularly by HIV, HCV or HBV. Consequently, the compounds of the present invention interfere with the replication cycle of a virus and are also useful as antiviral agents, or interfere with host cellular biochemical process and are also useful as antiproliferative agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from viral infection and/or cell proliferation. The invention also relates to methods of treating a viral infection and/or cell proliferation in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral/anti-proliferative compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral infection in a subject in need of such therapy with said compounds.

  本发明揭示了化合物的公式(I)或(II)，或其药学上可接受的盐、酯或前药：这些化合物抑制、预防或治疗异常细胞增殖和/或病毒感染，特别是HIV、HCV或HBV。因此，本发明的化合物干扰病毒的复制周期，同时也可用作抗病毒剂，或干扰宿主细胞的生化过程，同时也可用作抗增殖剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有病毒感染和/或细胞增殖的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的病毒感染和/或细胞增殖的方法。本发明涉及上述新型抗病毒/抗增殖化合物，包括含有这些化合物的药物组合物，以及用于治疗或预防受试者的病毒感染的方法。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。