2-[2-[(26Z)-26-ethylidene-14,21,28,31-tetrahydroxy-12,29-bis(1-hydroxyethyl)-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-hydroxy-1-(2-hydroxypropylimino)but-2-en-2-yl]-1,3-thiazole-4-carboximidic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 2-[2-[(26Z)-26-ethylidene-14,21,28,31-tetrahydroxy-12,29-bis(1-hydroxyethyl)-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-hydroxy-1-(2-hydroxypropylimino)but-2-en-2-yl]-1,3-thiazole-4-carboximidic acid
• 化学式: C₄₈H₄₉N₁₃O₉S₆
• 分子量: 1144.4
• InChiKey: MQGFYNRGFWXAKA-ZHEWBVBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  76
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  495
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• [EN] USE OF A THIOPEPTIDE COMPOUND IN THE TREATMENT OF CLOSTRIDIUM DIFFICILE ASSOCIATED INFECTIONS<br/>[FR] UTILISATION D'UN COMPOSÉ DE THIOPEPTIDE POUR LE TRAITEMENT D'INFECTIONS ASSOCIÉES AU CLOSTRIDIUM DIFFICILE
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2015063711A1

  公开（公告）日：2015-05-07

  The invention relates to a thiopeptide compound, Micrococcin P1 or a tautomer thereof, or a pharmaceutically acceptable salt thereof, which is provided for use in the treatment or prophylaxis of Clostridium difficile associated diseases or infections. The invention also relates to a method for the treatment or prophylaxis of Clostridium difficile associated diseases or infections, comprising administering to a subject in need thereof, a therapeutically effective amount of the compound Micrococcin P1 or a tautomer thereof, or a pharmaceutically acceptable salt thereof. The invention also relates to a pharmaceutical composition comprising Micrococcin P1 and at least one pharmaceutically acceptable carrier, for use in the treatment or prophylaxis of Clostridium difficile associated diseases or infections.