DNT2200 | 893411-82-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: DNT2200
• 英文别名: 1-[Bis(2-aminoethyl)amino]-3-[3-[3-[bis(2-aminoethyl)amino]-2-hydroxy-propoxy]-2,2-bis[[3-[bis(2-aminoethyl)amino]-2-hydroxy-propoxy]methyl]propoxy]propan-2-ol；1-[bis(2-aminoethyl)amino]-3-[3-[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
• CAS: 893411-82-0
• 化学式: C₃₃H₈₀N₁₂O₈
• 分子量: 773.074
• InChiKey: HIZWKHJOHQKGID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.1
• 重原子数：
  53
• 可旋转键数：
  40
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  339
• 氢给体数：
  12
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  DNT2200 、 S-methyl-N-phenylisothiourea hydroiodide 以 水 、 乙腈 为溶剂， 生成 1-[2-[[3-[3-[3-[bis[2-[(N-phenylcarbamimidoyl)amino]ethyl]amino]-2-hydroxy-propoxy]-2,2-bis[[3-[bis[2-[(N-phenylcarbamimidoyl)amino]ethyl]amino]-2-hydroxy-propoxy]methyl]propoxy]-2-hydroxy-propyl]-[2-[(N-phenylcarbamimidoyl)amino]ethyl]amino]ethyl]-3-phenyl-guanidine
  参考文献：
  名称：

  Novel Compounds Containing Multiple Guanide Groups That Bind the HIV Coreceptor CXCR4

  摘要：

  摘要 G 蛋白偶联受体 CXCR4 是人类免疫缺陷病毒 1 型（HIV-1）感染的核心受体，并参与细胞迁移和增殖的信号传递。阻断 CXCR4 相互作用的化合物有可能用作 HIV 进入抑制剂，以补充马拉维若等阻断替代核心受体 CCR5 的药物，或用于癌症治疗。多肽 T140 含有五个精氨酸残基，是迄今为止开发的最有效的 CXCR4 拮抗剂。在寻找可抑制 HIV 进入的非肽 CXCR4 配体的过程中，我们从 12 个含有 2、3、4、6 或 8 个氨基的线性和支链多胺中合成了三个系列的化合物，并将其取代以产生相应的胍类、双胍类或苯基胍类。测试了所得化合物与 T140 竞争结合哺乳动物细胞上表达的人类 CXCR4 受体的能力。最有效的化合物与 CXCR4 结合的 50% 抑制浓度为 200 nM，而且所有化合物的细胞毒性都很低。然后测试了两个系列的化合物抑制 TZM-bl 细胞感染 X4 和 R5 株 HIV-1 的能力。在低微摩尔浓度下，精胺苯胍和亚精胺苯胍能抑制 X4 株的感染，但不能抑制 R5 株的感染。这些结果支持进一步研究和开发这些化合物作为 HIV 进入抑制剂。

  DOI：

  10.1128/aac.00709-10
• 作为产物：
  描述：

  1-[Bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-3-[3-[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol 以 水 、 异丙醇 为溶剂， 反应 2.0h， 生成 DNT2200
  参考文献：
  名称：

  [EN] PEHAM DENDRIMERS FOR USE IN AGRICULTURE
  [FR] DENDRIMÈRES POLYÉTHER-HYDROXYLAMINE (PEHAM) DESTINÉS À ÊTRE UTILISÉS EN AGRICULTURE

  摘要：

  特定的PEHAM树枝状聚合物与活性剂配方一起用于农业目的，特别是通过多种方式增加活性剂的功效，比如改善配方中活性剂的溶解性，改善活性剂对植物表面的粘附和渗透性，改善活性剂对植物或种子的耐水性，提供对活性剂免受紫外线损伤的保护，增加活性剂在土壤中的渗透性以达到植物根部或土壤下部，或通过减少活性剂与土壤的粘附以达到植物根部或土壤下部，或减少植物或种子或土壤中微生物对活性剂的酶降解。

  公开号：

  WO2011053605A1

文献信息

• [EN] DENDRITIC POLYMERS WITH ENHANCED AMPLIFICATION AND INTERIOR FUNCTIONALITY<br/>[FR] POLYMERES DENDRITIQUES AVEC FONCTIONNALITE INTERIEURE ET AMPLIFICATION RENFORCEES
  申请人：DENDRITIC NANOTECHNOLOGIES INC

  公开号：WO2006115547A3

  公开（公告）日：2009-06-04
• PEHAM DENDRIMERS FOR USE IN AGRICULTURE
  申请人：Dendritic Nanotechnologies, Inc.

  公开号：EP2493291B1

  公开（公告）日：2019-05-22
• Dendritic Polymers with Enhanced Amplification and Interior Functionality
  申请人：Tomalia A. Donald

  公开号：US20070244296A1

  公开（公告）日：2007-10-18

  Poly(ester-acrylate) and poly(ester/epoxide) dendrimers. These materials can be synthesized by utilizing the so-called “sterically induced stoichiometric” principles. The preparation of the dendrimers is carried out by reacting precursor amino/polyamino-functional core materials with various branch cell reagents. The branch cell reagents are dimensionally large, relative to the amino/polyamino-initiator core and when reacted, produce generation=1 dendrimers directly in one step. There is also a method by which the dendrimers can be stabilized and that method is the reaction of the dendrimers with surface reactive molecules to pacify the reactive groups on the dendrimers.
• Dendritic Polymers With Enhanced Amplification and Interior Functionality
  申请人：Tomalia A. Donald

  公开号：US20070298006A1

  公开（公告）日：2007-12-27

  Dendritic polymers with enhanced amplification and interior functionality are disclosed. These dendritic polymers are made by use of fast, reactive ring-opening chemistry (or other fast reactions) combined with the use of branch cell reagents in a controlled way to rapidly and precisely build dendritic structures, generation by generation, with cleaner chemistry, often single products, lower excesses of reagents, lower levels of dilution, higher capacity method, more easily scaled to commercial dimensions, new ranges of materials, and lower cost. The dendritic compositions prepared have novel internal functionality, greater stability (e.g., thermal stability and less or no reverse Michael's reaction), and reach encapsulation surface densities at lower generations. Unexpectedly, these reactions of polyfunctional branch cell reagents with polyfunctional cores do not create cross-linked materials. Such dendritic polymers are useful as demulsifiers for oil/water emulsions, wet strength agents in the manufacture of paper, proton scavengers, polymers, nanoscale monomers, calibration standards for electron microscopy, making size selective membranes, and agents for modifying viscosity in aqueous formulations such as paint. When these dendritic polymers have a carried material associated with their surface and/or interior, then these dendritic polymers have additional properties for carrying materials due to the unique characteristics of the dendritic polymer, such as for drug delivery, transfection, and diagnostics.
• PEHAM Dendrimers for Use in Agriculture
  申请人：Hayes Ryan T.

  公开号：US20110230348A1

  公开（公告）日：2011-09-22

  Specific PEHAM dendrimers are used in a formulation with an active agent for agricultural purposes, particularly for increasing the efficacy of the active agent in various ways, such as by improving solubility of the active agent in the formulation, by improving adhesion and penetration of the active agent to plant surfaces, by improving the water-fastness of the active agent to the plant or seed, by increasing soil penetration of the active agent to reach the plant roots or under soil parts, or by reducing soil adhesion of the active agent to reach the plant roots or under soil parts, or reducing enzymatic degradation of the active agent by the plant or seed or microorganisms in the soil.