Methyl 1-[2-[3-[2-[2-hydroxy-3-[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]propyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate | 911415-36-6

• 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: Methyl 1-[2-[3-[2-[2-hydroxy-3-[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]propyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate
• CAS: 911415-36-6
• 化学式: C₄₁H₆₇N₅O₁₆S
• 分子量: 918.073
• InChiKey: ASPAOYJTMZUVDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  63
• 可旋转键数：
  37
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  275
• 氢给体数：
  3
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  N-哌嗪甲酸乙酯 、 Methyl 1-[2-[3-[2-[2-hydroxy-3-[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]propyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate 、 Methyl 1-[2-[3-[2-[3-[2-[[3-[2-[bis[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]ethylsulfanyl]-2-hydroxypropoxy]methyl]-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]-2-hydroxypropyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate 以 甲醇 为溶剂， 反应 504.0h， 生成 Ethyl 4-[3-[2-[[3-[2-[bis[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]ethylsulfanyl]-2-hydroxypropoxy]methyl]-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]-2-hydroxypropyl]piperazine-1-carboxylate 、 Ethyl 4-[3-[2-[[3-[2-[bis[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]ethylsulfanyl]-2-hydroxypropoxy]methyl]-2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxypropoxy]methyl]-3-(oxiran-2-ylmethoxy)propoxy]-2-hydroxypropyl]piperazine-1-carboxylate 、 Ethyl 4-[3-[2-[[3-[2-[bis[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]ethylsulfanyl]-2-hydroxypropoxy]methyl]-3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxypropoxy]-2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]piperazine-1-carboxylate
  参考文献：
  名称：

  WO2006/105043

  摘要：

  公开号：
• 作为产物：
  描述：

  dithiothreitol 、 季戊四醇缩水甘油醚 以 甲醇 为溶剂， 反应 72.0h， 生成 Methyl 1-[2-[3-[2-[2-hydroxy-3-[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]propyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate 、 Methyl 1-[2-[3-[2-[3-[2-[[3-[2-[bis[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]ethylsulfanyl]-2-hydroxypropoxy]methyl]-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]-2-hydroxypropyl]sulfanylethyl-[3-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-5-oxopyrrolidine-3-carboxylate
  参考文献：
  名称：

  WO2006/105043

  摘要：

  公开号：

文献信息

• Janus Dendrimers and Dendrons
  申请人：Tomalia Donald A.

  公开号：US20080221300A1

  公开（公告）日：2008-09-11

  This invention provides a cost effective process and new Janus dendrimers where at least two dendrons are attached at the core (with or without a connector group) and where at least two of the dendrons have different functionality. Preferred are those Janus dendrimers where at least one dendron is a PEHAM dendron. Thus these Janus dendrimers are heterobifunctional in character and use unique ligation chemistry with single site functional dendrons, di-dendrons and multi-dendrons. Also included are Janus dendrons which maybe used as intermediates to make the Janus dendrimers or to further react with another reactive moiety. These Janus dendrimers can provide several new dendrimer moieties, namely: combinatorial libraries of bifunctional structures; combined target director and signaling dendrimers; specific targeting entities for diagnostic and therapeutic applications, such as for example targeted MRI agents, targeted radionuclide delivery for diseases such as cancer, and targeted photosensitive or radiowave sensitive agents.

  该发明提供了一种经济有效的过程和新的Janus树状分子，其中至少有两个树枝附着在核心上（带有或不带有连接器组），并且至少有两个树枝具有不同的功能。首选的是至少一个树枝是PEHAM树枝的Janus树状分子。因此，这些Janus树状分子具有异双功能性质，并且使用具有单个位点功能树枝，二元树枝和多元树枝的独特连接化学。还包括可以用作制备Janus树状分子的中间体或进一步与另一反应性基团反应的Janus树枝。这些Janus树状分子可以提供几种新的树状分子基团，即：双功能结构的组合库；结合目标指向和信号传导的树状分子；用于诊断和治疗应用的特定靶向实体，例如用于靶向MRI剂、针对癌症等疾病的靶向放射性核素传递和靶向光敏或辐射波敏感剂。
• US7977452B2
  申请人：——

  公开号：US7977452B2

  公开（公告）日：2011-07-12
• WO2006/105043
  申请人：——

  公开号：——

  公开（公告）日：——