3-[N,N-bis({N-[2-{2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}-1-({2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}methyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid | 677718-31-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 3-[N,N-bis({N-[2-{2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}-1-({2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}methyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid
• 英文别名: 4-[Bis[2-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
• CAS: 677718-31-9
• 化学式: C₈₂H₉₇N₃O₁₇
• 分子量: 1396.68
• InChiKey: ZXMNWGOEVAGVDH-UHFFFAOYSA-N

物化性质

• 沸点：
  1268.6±65.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  102
• 可旋转键数：
  53
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  227
• 氢给体数：
  3
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  3-[N,N-bis({N-[2-{2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}-1-({2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}methyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid 、 N-羟基丁二酰亚胺 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以79%的产率得到2,5-dioxopyrrolidinyl 3-[N,N-bis({N-[2-{2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}-1-({2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}methyl)ethyl]carbamoyl}methyl)carbamoyl]propanoate
  参考文献：
  名称：

  支链低聚甘油水溶性的定量研究

  摘要：

  已经对已知的含单苯甲酰化八亚甲基二胺的支链低聚甘油进行了水溶性和分配系数测量。还制备了一种新的低聚甘油，一种带有八个伯羟基的六聚体，并检查了其性质。发现水溶性随着羟基的数量以近似几何级数的方式增加，并且六聚体衍生物的水溶性比丙酰胺衍生物的水溶性高至少一百万倍。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejoc.200601036
• 作为产物：
  描述：

  丁二酸酐 、 N-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yl]-2-[[2-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-2-oxoethyl]amino]acetamide 在 吡啶 作用下， 反应 1.5h， 以100%的产率得到3-[N,N-bis({N-[2-{2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}-1-({2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy}methyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid
  参考文献：
  名称：

  支链低聚甘油水溶性的定量研究

  摘要：

  已经对已知的含单苯甲酰化八亚甲基二胺的支链低聚甘油进行了水溶性和分配系数测量。还制备了一种新的低聚甘油，一种带有八个伯羟基的六聚体，并检查了其性质。发现水溶性随着羟基的数量以近似几何级数的方式增加，并且六聚体衍生物的水溶性比丙酰胺衍生物的水溶性高至少一百万倍。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejoc.200601036

文献信息

• EP1550651
  申请人：——

  公开号：——

  公开（公告）日：——
• COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE
  申请人：Nemoto Hisao

  公开号：US20100172967A1

  公开（公告）日：2010-07-08

  Objects of the present invention are to provide a compound which is useful as a surface modifier for producing a drug carrier or the like, or a salt thereof; a fine particle comprising the same; and the like. The present invention provides a compound in which a substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance, is modified with a glycerol derivative represented by the following formula (1): wherein R represents a residue comprising a reactive group for the substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance or for a spacer capable of binding the substance to be modified, which is selected from the group consisting of an amphiphilic substance and a hydrophobic substance, to R—X, or a group capable of being transformed into the reactive group; n represents an integer of 3 or more; and X represents a residue capable of having the following structure by n in number: directly or via the spacer, or a salt thereof; a fine particle comprising the same; and the like.
• BISPECIFIC ANTIBODIES AGAINST HER2
  申请人：De Goeij Bart

  公开号：US20140170148A1

  公开（公告）日：2014-06-19

  Bispecific antibodies which comprise antigen-binding regions binding to two different epitopes of human epidermal growth factor receptor 2 (HER2), and related antibody-based compositions and molecules, are disclosed. Pharmaceutical compositions comprising the antibodies and methods of preparing and using the antibodies are also disclosed.
• US7569706B2
  申请人：——

  公开号：US7569706B2

  公开（公告）日：2009-08-04
• US7696359B2
  申请人：——

  公开号：US7696359B2

  公开（公告）日：2010-04-13