Bulevirtide | 2012558-47-1

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Bulevirtide
• 英文别名: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[2-(tetradecanoylamino)acetyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• CAS: 2012558-47-1
• 化学式: C₂₄₈H₃₅₅N₆₅O₇₂
• 分子量: 5399.0
• InChiKey: WQNDXLHKAMIGEX-WOAPPVHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.7
• 重原子数：
  385
• 可旋转键数：
  166
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  2160
• 氢给体数：
  65
• 氢受体数：
  76

文献信息

• THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS
  申请人：Myr GmbH

  公开号：EP3392267A1

  公开（公告）日：2018-10-24

  An inhibitor of Na+-taurocholate cotransporting polypeptide (NTCP) for use in a method of treatment of primary biliary cirrhosis, atherosclerosis, or an NRLP3 inflammasome-associated disease in a subject.

  一种用于治疗原发性胆汁性肝硬化、动脉粥样硬化或 NRLP3 炎症体相关疾病的 Na+-taurocholate 共转运多肽（NTCP）抑制剂。
• Therapy of atherosclerosis, primary biliary cirrhosis and NRLP3 inflammasome-associated disease by HTCP inhibitors
  申请人：MYR GmbH

  公开号：US10925925B2

  公开（公告）日：2021-02-23

  An inhibitor of Na+-taurocholate cotransporting polypeptide (NTCP) for use in a method of treatment of primary biliary cirrhosis, atherosclerosis, or an NRLP3 inflammasome-associated disease in a subject.

  一种用于治疗原发性胆汁性肝硬化、动脉粥样硬化或 NRLP3 炎症体相关疾病的 Na+-taurocholate 共转运多肽（NTCP）抑制剂。
• COMBINATION THERAPY OF HBV AND HDV INFECTION
  申请人：Myr GmbH

  公开号：EP3204030B1

  公开（公告）日：2022-04-27