(O-(N-t-butoxycarbonyl)-L-isoleucyl)-5-(3,3-dimethylbut-1-ynyl)-3-[(4-trans-hydroxycyclohexyl)-(4-trans-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid | 1318867-86-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (O-(N-t-butoxycarbonyl)-L-isoleucyl)-5-(3,3-dimethylbut-1-ynyl)-3-[(4-trans-hydroxycyclohexyl)-(4-trans-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
• CAS: 1318867-86-5
• 化学式: C₃₆H₅₄N₂O₇S
• 分子量: 658.9
• InChiKey: ZBIDEDIYIBHQON-WTWMNNMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  122.24
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (O-(N-t-butoxycarbonyl)-L-isoleucyl)-5-(3,3-dimethylbut-1-ynyl)-3-[(4-trans-hydroxycyclohexyl)-(4-trans-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Therapies for Treating Hepatitis C Virus Infection

  摘要：

  本发明提供了对不同IL28B基因型的丙型肝炎病毒感染患者的治疗方法。因此，本发明提供了预防丙型肝炎病毒感染的临床后遗症的方法。本发明还提供了治疗肝损伤和肝炎的方法。在一种实施方案中，本发明提供了一种治疗方案，包括对具有IL28B基因型CC、CT或TT的患者给予VX-222或其药用盐的治疗。

  公开号：

  US20130273003A1

文献信息

• COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130203706A1

  公开（公告）日：2013-08-08

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the variables of Structural Formula (I) are as described in the specification and the claims. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier of excipient. A method of treating a HCV infection in a subject comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of inhibiting or reducing the activity of HCV polymerase in a subject or in a biological in vitro sample comprises administering to the subject or to the sample a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  化合物由结构式（I）表示，或其药学上可接受的盐，其中结构式（I）的变量如说明书和权利要求所述。一种制药组合物包括由结构式（I）表示的化合物或其药学上可接受的盐，以及药学上可接受的载体或赋形剂。一种治疗HCV感染的方法包括向患者投予结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。一种抑制或减少HCV聚合酶在体内或体外生物样品中活性的方法包括向患者或样品投予结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。
• METHODS FOR PREPARATION OF THIOPHENE COMPOUNDS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140206888A1

  公开（公告）日：2014-07-24

  A method of preparing Compound (1): or a pharmaceutically acceptable salt thereof includes: a) reacting Compound (A) with 3,3-dimethylbut-1-yne in the presence of one or more palladium catalysts selected from the group consisting of Pd(PPh 3 ) 4 and Pd(PPh 3 ) 2 Cl 2 , and one or more copper catalysts selected from the group consisting of CuI, CuBr, and CuCl, to generate Compound (B); b) treating Compound (B) with an acid to generate Compound (C): c) reducing the cyclohexanone of Compound (C) to cyclohexanol to generate Compound (D); and d) reacting Compound (D) with a base to generate Compound (1), wherein Compounds (A), (B), (C), and (D) are each as depicted herein.

  制备化合物（1）或其药学上可接受的盐的方法包括：a）在选择自Pd（PPh3）4和Pd（PPh3）2Cl2组成的一种或多种钯催化剂和选择自CuI，CuBr和CuCl组成的一种或多种铜催化剂的存在下，将化合物（A）与3,3-二甲基丁-1-炔反应，生成化合物（B）；b）用酸处理化合物（B）生成化合物（C）；c）还原化合物（C）的环己酮为环己醇，生成化合物（D）；和d）将化合物（D）与碱反应，生成化合物（1），其中化合物（A），（B），（C）和（D）如此处所示。
• THERAPIES FOR TREATING HEPATITIS C VIRUS INFECTION
  申请人：Rosario Maria

  公开号：US20130034522A1

  公开（公告）日：2013-02-07

  A method of improving the pharmacokinetics of VX-222 in a patient infected with HCV comprises co-administering VX-222 and VX-950 to the patient. A method of treating a patient infected with HCV comprises administering VX-222 and VX-950 to the patient, wherein VX-222 is in an amount of about 20 mg to about 400 mg, and wherein VX-950 is in an amount of about 100 mg to about 1,500 mg. A method of treating a patient infected with HCV comprises administering a therapeutically effective amount of VX-222, wherein VX-222 is administered at an amount of about 20 mg to about 2,000 mg once a day.