2-(1-methyl-4-(1-methyl-4-(1-methyl-4-(1-methyl-4-(α-bromoacrylamido)imidazole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)ethylguanidine | 245045-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-methyl-4-(1-methyl-4-(1-methyl-4-(1-methyl-4-(α-bromoacrylamido)imidazole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)pyrrole-2-carboxamido)ethylguanidine
• 英文别名: N-(5-{[(5-{[(5-{[(2-{[amino(imino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-4-[(2-bromoacryloyl)amino]-1-methyl-1H-imidazole-2-carboxamide；4-(2-bromoprop-2-enoylamino)-N-[5-[[5-[[5-[2-(diaminomethylideneamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
• CAS: 245045-79-8
• 化学式: C₂₉H₃₄BrN₁₃O₅
• 分子量: 724.577
• InChiKey: QFKXUIWJPJZNTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  48
• 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：
  243
• 氢给体数：
  7
• 氢受体数：
  7

文献信息

• Process for preparing distamycin derivatives
  申请人：——

  公开号：US20040082759A1

  公开（公告）日：2004-04-29

  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.

  公式（I）中的α-卤代丙烯酰基二氨基链霉素衍生物，其中R1是溴或氯原子；R2是按规范所述的二氨基链霉素或类似二氨基链霉素框架；或其药学上可接受的盐；是细胞毒剂，特别是对于在GSH/GST系统过度表达且对传统抗肿瘤治疗反应不佳甚至耐药的肿瘤的治疗非常有效。
• US6753316B1
  申请人：——

  公开号：US6753316B1

  公开（公告）日：2004-06-22
• US6951951B2
  申请人：——

  公开号：US6951951B2

  公开（公告）日：2005-10-04