carbonic acid allyl ester 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 | 334931-92-9

• 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: carbonic acid allyl ester 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
• 英文别名: [3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-1-yl]methyl prop-2-enyl carbonate
• CAS: 334931-92-9
• 化学式: C₂₇H₂₂N₄O₇
• 分子量: 514.494
• InChiKey: WOQSDWRMHUFTAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-hydroxymethyl-3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-pyrrole-2,5-dione 、 氯甲酸烯丙酯 、 1,5-二氮杂双环[4.3.0]壬-5-烯 在 4-二甲氨基吡啶 ethyl acetate n-hexane 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以to afford carbonic acid allyl ester 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 as a red solid (m.p. 191-194° C.)的产率得到carbonic acid allyl ester 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
  参考文献：
  名称：

  Substituted pyrroles suitable for continuous infusion

  摘要：

  本发明涉及一种具有下列式的新取代吡咯化合物。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病人的治疗和/或控制细胞增殖性疾病，特别是癌症。本发明还涉及含有上述化合物的药物组合物以及治疗和/或控制癌症的方法。

  公开号：

  US06559164B1

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.
• Substituted pyrroles suitable for continuous infusion
  申请人：Hoffmann-La Roche Inc.

  公开号：US06559164B1

  公开（公告）日：2003-05-06

  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式的新型取代吡咯化合物。这些化合物及其药用盐适合作为连续输注溶液给患者使用，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。