(2R,6S,13aS,14aR,16aS,Z)-6-(4,5-dimethylisoxazole-3-carboxamido)-2-(7-fluoro-3-methylquinoxalin-2-yloxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxylic acid | 1360924-61-3

• 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: (2R,6S,13aS,14aR,16aS,Z)-6-(4,5-dimethylisoxazole-3-carboxamido)-2-(7-fluoro-3-methylquinoxalin-2-yloxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxylic acid
• 英文别名: (1S,4R,6S,7Z,14S,18R)-14-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-18-(7-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
• CAS: 1360924-61-3
• 化学式: C₃₃H₃₇FN₆O₇
• 分子量: 648.691
• InChiKey: ZXGMTRMLBFJWMR-YEAQQWNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  47
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  177
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Chen Hui-Ju

  公开号：US20120101031A1

  公开（公告）日：2012-04-26

  The present invention relates to novel macrocyclic compounds and methods of treating a hepatitis C infection in a subject in need of such therapy with said macrocyclic compounds. The present invention further relates to pharmaceutical compositions comprising the compounds of the present invention, or pharmaceutically acceptable salts, esters, or prodrugs thereof, in combination with a pharmaceutically acceptable carrier or excipient.

  本发明涉及新型大环化合物及使用该大环化合物治疗需要该疗法的丙型肝炎感染患者的方法。本发明还涉及包含本发明化合物或其药学上可接受的盐、酯或前药，与药学上可接受的载体或赋形剂组合的制药组合物。
• US8748374B2
  申请人：——

  公开号：US8748374B2

  公开（公告）日：2014-06-10
• US9493506B2
  申请人：——

  公开号：US9493506B2

  公开（公告）日：2016-11-15
• [EN] MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS MACROCYCLIQUE DE LA PROTÉASE À SÉRINE DU VIRUS DE L'HÉPATITE C
  申请人：ABBOTT LAB

  公开号：WO2011156337A2

  公开（公告）日：2011-12-15

  The present invention relates to novel macrocyclic compounds and methods of treating a hepatitis C infection in a subject in need of such therapy with said macrocyclic compounds. The present invention further relates to pharmaceutical compositions comprising the compounds of the present invention, or pharmaceutically acceptable salts, esters, or prodrugs thereof, in combination with a pharmaceutically acceptable carrier or excipient.