N,N',N''-tris(2-aminoethyl)phosphoric acid triamide | 1004522-50-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N',N''-tris(2-aminoethyl)phosphoric acid triamide
• 英文别名: N,N',N''-tris(2-aminoethyl)phosphoric triamide；N'-bis(2-aminoethylamino)phosphorylethane-1,2-diamine
• CAS: 1004522-50-2
• 化学式: C₆H₂₁N₆OP
• 分子量: 224.246
• InChiKey: JUNZSHIUYCSQSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  131
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N,N',N''-tris(2-aminoethyl)phosphoric acid triamide 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成
  参考文献：
  名称：

  NOVEL LINKERS FOR CONJUGATION OF CELL-BINDING MOLECULES

  摘要：

  细胞结合剂-药物偶联物包括亲水性连接剂，并提供使用这种连接剂和偶联物的方法。

  公开号：

  US20150284416A1
• 作为产物：
  描述：

  乙二胺 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 N,N',N''-tris(2-aminoethyl)phosphoric acid triamide
  参考文献：
  名称：

  NOVEL LINKERS FOR CONJUGATION OF CELL-BINDING MOLECULES

  摘要：

  细胞结合剂-药物偶联物包括亲水性连接剂，并提供使用这种连接剂和偶联物的方法。

  公开号：

  US20150284416A1

文献信息

• pH-reversible supramolecular hydrogels based on aminoalkyl phosphoamide compounds
  作者：Lidong Zhang、Eun Ji Choi、Min Hee Kim、Gyeong Mi Lee、Hongsuk Suh、Il Kim

  DOI：10.1080/10610278.2011.638382

  日期：2012.3

  A series of aminoalkyl phosphoamide compounds of the general formula O=P(NH)(3)(CH2)(n)(NH2)(3) (n = 2, 3, 4, 6) and [O=P(NH)(2)(CH2)(2)(NH2)(2)](2) have been prepared by reacting phosphoryl trichloride with diamines, and their pH-modulated gelation and self-assembly behaviour are reported. pH-reversible hydrogels are formed in neutral water by the physical entanglement oriented by hydrogen bonds. Highly polar nature of these compounds affords multiple sites for supramolecular interactions, leading to the self-assembled nanostructures with different morphologies according to pH conditions.
• [EN] PROCESS FOR THE PREPARATION OF AMINE FUNCTIONAL PHOSPHORIC AMIDES<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'AMIDES DE L'ACIDE PHOSPHORIQUE À FONCTIONNALITÉ AMINE
  申请人：ANNA PETER

  公开号：WO2009077796A3

  公开（公告）日：2009-08-13
• FT-IR spectral, DFT studies and detailed vibrational assignment on N,N′,N″-tris(2-aminoethyl)-phosphoric acid triamide
  作者：O. Unsalan、B. Szolnoki、A. Toldy、G. Marosi

  DOI：10.1016/j.saa.2012.08.050

  日期：2012.12

  Structure of N,N',N ''-tris(2-aminoethyl)-phosphoric acid triamide (TEDAP), which is a phosphorus-containing reactive amine crosslinking agent and flame retardant material as well, identified by Fourier transform infrared (FT-IR) spectroscopy and quantum chemical calculations. The FT-IR spectrum of TEDAP, being a recently synthesized new compound, has been recorded in the 4000-650 cm(-1) region for the first time. The molecular geometry and vibrational wavenumbers of the compound in its ground state have been calculated by using Density Functional Theory (DFT) using B3LYP functional with 6-311++G(d,p) basis set. All calculations were performed with Gaussian09 software. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. Furthermore, assignments of each vibrational mode were interpreted in terms of potential energy distributions (PED) in detail. (C) 2012 Elsevier B.V. All rights reserved.
• NOVEL LINKERS FOR CONJUGATION OF CELL-BINDING MOLECULES
  申请人：Zhao Robert Yongxin

  公开号：US20150284416A1

  公开（公告）日：2015-10-08

  Cell binding agent-drug conjugates comprising hydrophilic linkers, and methods of using such linkers and conjugates are provided.

  细胞结合剂-药物偶联物包括亲水性连接剂，并提供使用这种连接剂和偶联物的方法。