3-(1-methyl-4-(1-methyl-4-(1-methyl-4-(1-methyl-3-(α-bromoacrylamido)pyrazole-5-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)propionamide

• 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-(1-methyl-4-(1-methyl-4-(1-methyl-4-(1-methyl-3-(α-bromoacrylamido)pyrazole-5-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)propionamide
• 英文别名: N-(5-{[(5-{[(5-{[(3-amino-3-oxopropyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-3-[(2-bromoacryloyl)amino]-1-methyl-1H-pyrazole-5-carboxamide；N-[5-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-(2-bromoprop-2-enoylamino)-2-methylpyrazole-3-carboxamide
• 化学式: C₂₉H₃₂BrN₁₁O₆
• 分子量: 710.547
• InChiKey: HIVPVKCKFHNNNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  221
• 氢给体数：
  6
• 氢受体数：
  7

文献信息

• Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors
  申请人：——

  公开号：US20030162722A1

  公开（公告）日：2003-08-28

  The present invention provides the combined use of acryloyl distamycin derivatives, in particular &agr;-bromo- and &agr;-chloro-acryloyl distamycin derivatives of formula (I), as set forth in the specification, and an antineoplastic topoisomerase I or II inhibitor, in the treatment of tumors. Also provided is the use of the said combinations in the treatment or prevention of metastasis or in the treatment of tumors by inhibition of angiogenesis.

  本发明提供了丙烯酰基二霉素衍生物，特别是式(I)的&agr;-溴-和&agr;-氯-丙烯酰基二霉素衍生物（如说明书所述）与抗肿瘤拓扑异构酶I或II抑制剂在治疗肿瘤中的联合使用。还提供了上述组合物在治疗或预防转移或通过抑制血管生成治疗肿瘤中的用途。
• Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents
  申请人：——

  公开号：US20030180383A1

  公开（公告）日：2003-09-25

  Compounds which are &agr;-halogenoacryloyl distamycin derivatives of formula (I) wherein R 1 is a bromine or chlorine atom; R 2 is a distamycin or distamycin-like framework as set forth in the specification; or a pharmaceutically acceptable salt thereof; are cytotoxic agents particularly effective in the treatment of tumors over expressing GSH/GSTs system and which are poorly responsive or even resistant to conventional antitumor therapies.

  式 (I) 的&agr;-卤代丙烯酰基多柔霉素衍生物的化合物，其中 R 1 是溴原子或氯原子；R 2 或其药学上可接受的盐；是治疗过度表达 GSH/GSTs 系统、对传统抗肿瘤疗法反应不佳甚至耐药的肿瘤特别有效的细胞毒剂。
• Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and protein kinase (serine/threonine kinase) inhibitors
  申请人：Geroni Cristina Maria

  公开号：US20060084612A1

  公开（公告）日：2006-04-20

  The present invention provides the combined use of acryloyl distamycin derivatives, in particular α-bromo- and α-chloro-acryloyl distamycin derivatives of formula (I), as set forth in the specification, and a protein kinase (serine/threonine and tyrosine kinases) inhibitor, in the treatment of tumors. Also provided is the use of the said combinations in the treatment or prevention of metastasis or in the treatment of tumors by inhibition of angiogenesis.

  本发明提供了丙烯酰基二霉素衍生物，特别是式(I)的α-溴和α-氯丙烯酰基二霉素衍生物（如说明书所述）和蛋白激酶（丝氨酸/苏氨酸和酪氨酸激酶）抑制剂在治疗肿瘤中的联合使用。还提供了上述组合物在治疗或预防转移或通过抑制血管生成治疗肿瘤中的用途。
• USE OF SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES IN THE TREATMENT OF TUMORS ASSOCIATED WITH HIGH LEVELS OF GLUTATHIONE
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1280527A2

  公开（公告）日：2003-02-05
• PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1292290A2

  公开（公告）日：2003-03-19