bis[[(2S)-1-[(2S)-2-[5-[4-[(1E,3E)-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl] naphthalene-1,5-disulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: bis[[(2S)-1-[(2S)-2-[5-[4-[(1E,3E)-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl] naphthalene-1,5-disulfonate
• 化学式: C₈₄H₁₀₀N₁₆O₁₆S₂
• 分子量: 1653.9
• InChiKey: TXXAMMSJXPMHNZ-RBSVUPPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  118
• 可旋转键数：
  32
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  434
• 氢给体数：
  8
• 氢受体数：
  20

文献信息

• ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-METHOXYCARBONYLAMINO-3-METHYL-BUTYRYL)-PYRROLIDINE-2-YL]-3H-IMIDAZOLE-4-YL}-BUTA-1,3-DIENYL)-PHENYL]-1H-IMIDAZOLE-2-YL}-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-CARBAMATE NAPHTHALENE-1,5-DISULFONATE, PHARMACEUTICAL COMPOSITION, MEDICINAL AGENT AND METHOD FOR TREATMENT OF VIRAL DISEASES
  申请人：Ivachtchenko, Alexandre Vasilievich

  公开号：EP2955177A2

  公开（公告）日：2015-12-16

  The present invention relates to NS5A inhibitors, to novel pharmaceutical composition, antiviral medicament, method for prophylaxis and treatment of viral diseases, in particular caused by hepatitis C (HCV) virus and hepatitis GBV-C virus. Alkyl [(S)-1-((S)-2-5-[4-(4-2-[(S)-1-((S)-2-methoxycarbonylamino-3-methylbutyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-buta-1,3-diynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamate naphthaline-1,5-disulfonate of the general formula 1, possibly in crystalline or polycrystalline form, have been proposed, wherein: R is C1-C3 alkyl.

  本发明涉及NS5A抑制剂、新型药物组合物、抗病毒药物、预防和治疗病毒性疾病的方法，特别是由丙型肝炎（HCV）病毒和GBV-C肝炎病毒引起的病毒性疾病。 Alkyl [(S)-1-((S)-2-5-[4-(4-2-[(S)-1-((S)-2-methoxycarbonylamino-3-methylbutyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-buta-1,提出了通式 1 的萘-1,5-二磺酸氨基甲酸萘酯，可能为结晶或多晶形式、 其中R 是 C1-C3 烷基。
• EP2955177A4
  申请人：——

  公开号：EP2955177A4

  公开（公告）日：2016-11-23
• [EN] ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-METHOXYCARBONYLAMINO-3-METHYL-BUTYRYL)-PYRROLIDINE-2-YL]-3H-IMIDAZOLE-4-YL}-BUTA-1,3-DIENYL)-PHENYL]-1H-IMIDAZOLE-2-YL}-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-CARBAMATE NAPHTHALENE-1,5-DISULFONATE, PHARMACEUTICAL COMPOSITION, MEDICINAL AGENT AND METHOD FOR TREATMENT OF VIRAL DISEASES<br/>[FR] ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-MÉTHOXYCARBONYLAMINO-3-MÉTHYL-BUTIRYL)-PYRROLIDIN-2-YL]-3N-IMIDAZOL-4-YL}-BUTA-1,3-DIINYL)-PHÉNYL]-1N-IMIDAZOL-2-IY}-PYRROLIDIN-1-CARBONYL)-2-MÉTHYL-PROPYL]-CARBAMAT NAPHTALIN-1,5- DISULPHONATE, COMPOSITION PHARMACEUTIQUE, MÉDICAMENT ET PROCÉDÉ DE TRAIEMENT DE MALADIES VIRALES
  申请人：IVACHTCHENKO ALEXANDRE VASILIEVICH

  公开号：WO2014123456A2

  公开（公告）日：2014-08-14

  Настоящее изобретение относится к ингибиторам NS5A, к новой фармацевтической композиции, противовирусному лекарственному средству, способу профилактики и лечения вирусных заболеваний, особенно вызываемых вирусами гепатита C (HCV) и гепатита GBV-C. Предложены алкил [(S)-1-((S)-2-5-[4-(4-2-[(S)-1-((S)-2-метоксикарбониламино-3-метил-бутирил)-пирролидин-2-ил]-3Н-имидазол-4-ил}-бута-1,3-диинил)-фенил]-1Н-имидазол-2-ил}-пирролидин-1-карбонил)-2-метил-пропил]-карбамат нафталин-1,5- дисульфонат общей формулы 1, возможно в кристаллической или поликристаллической форме, где: R C1-C3алкил.
• [EN] ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-METHOXYCARBONYLAMINO-3-METHYL-BUTYRYL)-PYRROLIDINE-2-YL]-3H-IMIDAZOLE-4-YL}-BUTA-1,3-DIENYL)-PHENYL]-1H-IMIDAZOLE-2-YL}-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-CARBAMATE NAPHTHALENE-1,5-DISULFONATE FOR THE TREATMENT OF VIRAL DISEASES<br/>[FR] ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-MÉTHOXYCARBONYLAMINO-3-MÉTHYL-BUTIRYL)-PYRROLIDIN-2-YL]-3N-IMIDAZOL-4-YL}-BUTA-1,3-DIINYL)-PHÉNYL]-1N-IMIDAZOL-2-IY}-PYRROLIDIN-1-CARBONYL)-2-MÉTHYL-PROPYL]-CARBAMAT NAPHTALIN-1,5- DISULPHONATE, COMPOSITION PHARMACEUTIQUE, MÉDICAMENT ET PROCÉDÉ DE TRAIEMENT DE MALADIES VIRALES
  申请人：IVACHTCHENKO ALEXANDRE VASILIEVICH

  公开号：WO2014123456A3

  公开（公告）日：2014-12-18

  [EN] The present invention relates to NS5A inhibitors, to a novel pharmaceutical composition, to an antiviral medicinal agent, and to a method for the prevention and treatment of viral diseases, particularly those caused by the hepatitis C (HCV) and hepatitis GBV-C viruses. Proposed are alkyl [(S)-1-((S)-2-5-[4-(4-2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-yl]-3H-imidazole-4-yl}-buta-1,3-dienyl)-phenyl]-1H-imidazole-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamate naphthalene-1,5-disulfonate of general formula 1, in crystalline or polycrystalline form, where: R is C1-C3 alkyl.
  [FR] La présente invention concerne des inhibiteurs NS5A, une nouvelle composition pharmaceutique, un médicament antiviral, un procédé de prévention et de traitement de maladies virales, notamment de celles provoquées par les virus de l'hépatite virale C(HCV) et de l'hépatite virale GBV-C; on a proposé alkyl [(S)-1-((S)-2-5-[4-(4-2-[(S)-1-((S)-2-méthoxycarbonylamino-3-méthyl-butiryl)-pyrrolidin-2-yl]-3N-imidazol-4-yl}-buta-1,3-diinyl)-phényl]-1N-imidazol-2-iy}-pyrrolidin-1-carbonyl)-2-méthyl-propyl]-carbamat naphtalin-1,5- disulphonate correspondant à la formule générale 1, éventuellement sous une forme cristalline ou polycristalline, dans laquelle : R C1-C3alkyle.