N-(5-{[(5-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-4-[(2-bromoacryloyl)amino]-1-methyl-1H-pyrrole-2-carboxamide | 373362-68-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(5-{[(5-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-4-[(2-bromoacryloyl)amino]-1-methyl-1H-pyrrole-2-carboxamide
• 英文别名: 4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[3-(diaminomethylideneamino)propyl]-1-methylpyrrole-2-carboxamide
• CAS: 373362-68-6
• 化学式: C₂₅H₃₁BrN₁₀O₄
• 分子量: 615.49
• InChiKey: HUKJGMULFLBABC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  196
• 氢给体数：
  6
• 氢受体数：
  5

文献信息

• 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
• COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIMETABOLITES
  申请人：Nerviano Medical Sciences S.r.l.

  公开号：EP1299110B1

  公开（公告）日：2008-11-26
• Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites
  申请人：NERVIANO MEDICAL SCIENCES S.R.L.

  公开号：EP1889624B1

  公开（公告）日：2010-12-15
• Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione
  申请人：——

  公开号：US20030207794A1

  公开（公告）日：2003-11-06

  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.
• US7030089B2
  申请人：——

  公开号：US7030089B2

  公开（公告）日：2006-04-18