mitomycin C-ethyl disulfide propionic acid | 113626-69-0

• 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: mitomycin C-ethyl disulfide propionic acid
• 英文别名: 3-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoic acid
• CAS: 113626-69-0
• 化学式: C₂₀H₂₆N₄O₇S₂
• 分子量: 498.581
• InChiKey: DEJRRLHTGNVEPM-GXJVMNPRSA-N

物化性质

• 沸点：
  762.1±60.0 °C(predicted)
• 密度：
  1.55±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  221
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  mitomycin C-ethyl disulfide propionic acid 、 N-羟基丁二酰亚胺 在 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 (2,5-dioxopyrrolidin-1-yl) 3-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoate
  参考文献：
  名称：

  WO2007/22494

  摘要：

  公开号：
• 作为产物：
  描述：

  丝裂霉素 A 、 3-[(2-氨基乙基)二硫基]丙酸 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以77%的产率得到mitomycin C-ethyl disulfide propionic acid
  参考文献：
  名称：

  WO2007/22494

  摘要：

  公开号：

文献信息

• An Assembly Concept for the Consecutive Introduction of Unsymmetrical Disulfide Bonds:  Synthesis of a Releasable Multidrug Conjugate of Folic Acid
  作者：Iontcho R. Vlahov、Hari Krishna R. Santhapuram、Yu Wang、Paul J. Kleindl、Fei You、Stephen J. Howard、Elaine Westrick、Joseph A. Reddy、Christopher P. Leamon

  DOI：10.1021/jo070411z

  日期：2007.8.1

  We describe the development of methodology which allows for the introduction of a second disulfide bond into a molecular framework with a pre-existing disulfide linker system. Compounds which contain an S-9-fluorenylmethyl-protected thiol and an additional disulfide linkage are deprotected in situ and trapped with an activated thiophile. This methodology allowed for the synthesis of the first molecule possessing two different biologically active agents covalently attached to a folate receptor targeting ligand unit via two disulfide-based release systems.
• Multi-Drug Ligand Conjugates
  申请人：Vlahov Iontcho Radoslavov

  公开号：US20080248052A1

  公开（公告）日：2008-10-09

  Described herein are compounds, pharmaceutical compositions and methods for treating pathogenic cell populations in a patient. The compounds described herein include conjugates of a plurality of cytotoxic drugs and vitamin receptor binding ligands. The plurality of drugs may be the same or different. Similarly, the vitamin receptor binding ligands may be the same or different. The conjugates also include a linker that is formed from one or more spacer linkers, heteroatom linkers, and releasable linkers.
• MULTI-DRUG LIGAND CONJUGATES
  申请人：Endocyte, Inc.

  公开号：US20130184435A1

  公开（公告）日：2013-07-18

  Described herein are compounds, pharmaceutical compositions and methods for treating pathogenic cell populations in a patient. The compounds described herein include conjugates of a plurality of cytotoxic drugs and vitamin receptor binding ligands. The plurality of drugs may be the same or different. Similarly, the vitamin receptor binding ligands may be the same or different. The conjugates also include a linker that is formed from one or more spacer linkers, heteroatom linkers, and releasable linkers.
• US8465724B2
  申请人：——

  公开号：US8465724B2

  公开（公告）日：2013-06-18
• WO2007/22494
  申请人：——

  公开号：——

  公开（公告）日：——