{3-[4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-phosphonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: {3-[4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-phosphonic acid
• 英文别名: {3-[4-(1-Methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3yl]-indol-1-yl}-phosphonic acid；[3-[4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]phosphonic acid
• 化学式: C₂₁H₁₅N₄O₇P
• 分子量: 466.346
• InChiKey: KTXITSJJNWCBLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  159
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  {3-[4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-phosphonic acid dibenzyl ester 、 1,4-环己二烯 在 钯 Tetrahydrofuran hexane 作用下， 以 Tetrahydrofuran ethanol 为溶剂， 反应 2.0h， 以to yielding 20 mg of {3-[4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-phosphonic acid的产率得到{3-[4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-phosphonic acid
  参考文献：
  名称：

  Substituted pyrroles

  摘要：

  本发明涉及一种新型的取代吡咯，其化学式为：这些化合物及其药学上可接受的盐适合于作为连续输注溶液用于患者治疗和/或控制细胞增殖性疾病，特别是癌症。还公开了含有上述化合物的制药组合物以及治疗和/或控制癌症的方法。

  公开号：

  US06313143B1

文献信息

• SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1242408A1

  公开（公告）日：2002-09-25
• US6313143B1
  申请人：——

  公开号：US6313143B1

  公开（公告）日：2001-11-06
• [EN] SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION<br/>[FR] BISINDOLYLMALEIMIDES SUBSTITUES DESTINES A INHIBER LA PROLIFERATION CELLULAIRE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001044234A1

  公开（公告）日：2001-06-21

  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 methods for the treatment and/or control of cancer.
• Substituted pyrroles
  申请人：Hoffmann-La Roche Inc.

  公开号：US06313143B1

  公开（公告）日：2001-11-06

  Disclosed are novel substituted pyrroles having the formula 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 methods for the treatment and/or control of cancer.

  揭示了具有以下结构的新型取代吡咯化合物。这些化合物及其药用盐适合用作连续输注溶液给患者，并可用于治疗和/或控制细胞增殖性疾病，特别是癌症。还揭示了含有上述化合物的药物组合物和治疗和/或控制癌症的方法。