(E)-4-[(1R,4S,7S,10S,13R,16S,19S,22S,25S,31S,35R)-35-[(E)-but-2-enyl]-5,8,11,13,16,20,26,29,31,36-decamethyl-7,10,19,25-tetrakis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-4,22-di(propan-2-yl)-2lambda3-ioda-5,8,11,14,17,20,23,26,29,32,36-undecazatricyclo[30.2.1.13,34]hexatriacont-2-en-28-yl]but-2-enoic acid

• 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: (E)-4-[(1R,4S,7S,10S,13R,16S,19S,22S,25S,31S,35R)-35-[(E)-but-2-enyl]-5,8,11,13,16,20,26,29,31,36-decamethyl-7,10,19,25-tetrakis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-4,22-di(propan-2-yl)-2lambda3-ioda-5,8,11,14,17,20,23,26,29,32,36-undecazatricyclo[30.2.1.13,34]hexatriacont-2-en-28-yl]but-2-enoic acid
• 英文别名: (E)-4-[(1R,4S,7S,10S,13R,16S,19S,22S,25S,31S,35R)-35-[(E)-but-2-enyl]-5,8,11,13,16,20,26,29,31,36-decamethyl-7,10,19,25-tetrakis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-4,22-di(propan-2-yl)-2λ3-ioda-5,8,11,14,17,20,23,26,29,32,36-undecazatricyclo[30.2.1.13,34]hexatriacont-2-en-28-yl]but-2-enoic acid
• 化学式: C₆₄H₁₀₈IN₁₁O₁₂
• 分子量: 1350.5
• InChiKey: QNDWDAJTWCRHNA-ISZHMOMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  270
• 氢给体数：
  4
• 氢受体数：
  13

文献信息

• [EN] NON-IMMUNOSUPPRESSIVE CYCLOSPORIN DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS DE CYCLOSPORINE NON IMMUNODÉPRESSEURS EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UCL BUSINESS PLC

  公开号：WO2014132084A1

  公开（公告）日：2014-09-04

  A cyclosporin derivative which is a compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment or prevention of a viral infection: wherein: A represents (F(II)) or (F(III)) B represents methyl or ethyl, R2 represents ethyl or isopropyl, R4 represents -CH2CH(CH3)CH3, -CH2CH(CH3)CH2CH3, -CH(CH3)CH3 or -CH(CH3)CH2CH3, and either (a) one of R1 and R1* represents hydrogen and the other represents methyl, and R3 represents -L3-G3, or (b) one of R1 and R1* represents hydrogen and the other represents -L1-G1, and R3 represents H, wherein L1 and L3 represent a direct bond, a C1-C6 alkylene group or a C2-C6 alkenylene group; and G1 and G3 represent a hydrogen atom, a -COOR' group, or a phenyl moiety which is unsubstituted or substituted by one, two or three substituents selected from a halogen atom, a -COOR' group, a -CONR'R" group, a hydroxyl group, a C1-C6 alkyl group and a C1-C6 alkoxy group, wherein R' and R" are the same or different and represent hydrogen or a C1-C6 alkyl group, provided that (a) G1 does not represent a hydrogen atom when Li represents a direct bond or methylene, and (b) G3 does not represent a hydrogen atom when L3 represents a direct bond or methylene.