3-amino-cyclohexanecarboxylic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester trifluoroacetate | 334931-81-6

• 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: 3-amino-cyclohexanecarboxylic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester trifluoroacetate
• 英文别名: [3-(1-Methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-1-yl]methyl 3-aminocyclohexane-1-carboxylate;2,2,2-trifluoroacetic acid
• CAS: 334931-81-6
• 化学式: C₂HF₃O₂*C₃₀H₂₉N₅O₆
• 分子量: 669.614
• InChiKey: XXNTWAKPYCSLBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1224181A1

  公开（公告）日：2002-07-24
• US6559164B1
  申请人：——

  公开号：US6559164B1

  公开（公告）日：2003-05-06
• [EN] SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER<br/>[FR] PYRROLES SUBSTITUES UTILISES COMME AGENTS ANTIPROLOFERATIFS POUR TRAITER LE CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001027106A1

  公开（公告）日：2001-04-19

  Disclosed are novel substituted pyrroles having formula (I). These compounds and their pharmaceutically acceptable salts are suitable for administration to patients as continuous infusion solution and are useful in the treatment and/or control of cell proliferative disorders, in particular cancer. Also disclosed are pharmaceutical compositions containing the foregoing compounds and their use for the treatment and/or control of cancer.