N-(6-aminohexyl)acrylamide | 7530-30-5

• 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: N-(6-aminohexyl)acrylamide
• 英文别名: N-(6-aminohexyl)prop-2-enamide
• CAS: 7530-30-5
• 化学式: C₉H₁₈N₂O
• 分子量: 170.255
• InChiKey: KYAKSPGXNQVMAA-UHFFFAOYSA-N

物化性质

• 沸点：
  341.3±34.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(6-aminohexyl)acrylamide 在 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 86.0h， 生成 1-(5-O-acetyl-2,3-dideoxy-β-D-glycero-pent-2-enofuranosyl)-5-{N-[6-(trifluoroacetylamino)-hexyl]-acrylamide}-uracil
  参考文献：
  名称：

  SYNTHESIS OF 5-ALKENYLATED D4T ANALOGUES VIA THE Pd-CATALYZED CROSS-COUPLING REACTION

  摘要：

  The target compounds 5-[N-(6-amino-hexyl)-acrylamide]-2 ' ,3 ' -didehydro-2 ' ,3 ' -dideoxy-uridine (12) and 5-{N-[5-(methoxycarbonyl)-pentyl]acrylamide}-2 ' ,3 ' -didehydro-2',3 ' -dideoxy-uridine (15) were prepared by the palladium acetate-triphenylphosphine-catalyzed reaction of the 5 ' -O-acetyl-5-iodo-d4T analogue (3). These compounds 12 and 15 can be used to prepare nucleotide probes carrying fluorescent labels and were nevertheless screened for their anti-HIV activity. The biological data demonstrated that none of them were active against HIV-1.

  DOI：

  10.1081/ncn-100105902
• 作为产物：
  描述：

  N-Boc-1,6-己二胺 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 N-(6-aminohexyl)acrylamide
  参考文献：
  名称：

  Targeting Cysteine Located Outside the Active Site: An Effective Strategy for Covalent ALKi Design

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01707

文献信息

• A high-swelling reagent scaffold suitable for use in aqueous and organic solvents
  作者：Claude J. Rogers、Tobin J. Dickerson、Paul Wentworth、Kim D. Janda

  DOI：10.1016/j.tet.2005.07.115

  日期：2005.12

  A polymeric scaffold with excellent swelling properties in organic and aqueous environments is highly desirable for the medicinal chemist. Here, we demonstrate that a cross-linked polyacrylamide hydrogel that displays large swelling properties in both organic solvent and water can serve as a scaffold for the photosensitizer hematoporphyrin. Upon exposure to light, the resulting resin efficiently generates

  药物化学家非常需要在有机和水性环境中具有优异溶胀性能的聚合物支架。在这里，我们证明了在有机溶剂和水中均显示出大溶胀性能的交联聚丙烯酰胺水凝胶可以用作光敏剂血卟啉的支架。暴露于光下后，所得树脂有效地产生单线态氧，然后该单线态氧可与适当的底物反应。
• In silico Design, Synthesis, and Screening of Novel Deoxyhypusine Synthase Inhibitors Targeting HIV-1 Replication
  作者：Marcus Schroeder、Adrian Kolodzik、Katharina Pfaff、Poornima Priyadarshini、Marcel Krepstakies、Joachim Hauber、Matthias Rarey、Chris Meier

  DOI：10.1002/cmdc.201300481

  日期：2014.5

  Among these inhibitors, N‐1‐guanyl‐1,7‐diaminoheptane (GC7) has been co‐crystallized in the active site of DHS. However, despite its potency, GC7 is not selective enough to be used in drug applications. Therefore, new compounds that target DHS are needed. Herein we report the in silico design, chemical synthesis, and biological evaluation of new DHS inhibitors. One of these inhibitors showed dose‐dependent

  人类酶脱氧hysupsine合酶（DHS）是重要的宿主细胞因子，参与真核起始因子5A（eIF-5A）的翻译后hysupsine修饰。酪氨酸修饰的eIF-5A在多种疾病中起作用，包括HIV感染/艾滋病。因此，DHS代表了一种新颖且有吸引力的药物靶标。到目前为止，已有四种晶体结构可用，并且已经测试了多种物质对人DHS的抑制作用。在这些抑制剂中，N在DHS的活性位点中共结晶了1个鸟苷1，7个二氨基庚烷（GC7）。然而，尽管具有效力，GC7的选择性不足以用于药物应用。因此，需要靶向DHS的新化合物。在这里，我们报告了新型DHS抑制剂的计算机设计，化学合成和生物学评估。这些抑制剂中的一种在体外对DHS表现出剂量依赖性抑制作用，并在细胞培养物中抑制HIV复制。此外，该化合物在活性浓度下没有表现出细胞毒性作用。因此，这种设计的化合物证明了原理，并代表了开发新药物候选物以特异性干扰DHS活性的有希望的起点。
• Immobilization of Glycoconjugate Polymers on Cellulose Membrane for Affinity Separation
  作者：Atsushi Miyagawa、Maria Carmelita Z. Kasuya、Kenichi Hatanaka

  DOI：10.1246/bcsj.79.348

  日期：2006.2

  Membranes with immobilized glycoconjugate polymers were prepared and lectin adsorption was evaluated. Glycoconjugate polymers having the carbohydrates, lactose, and mannose, the amino groups of the reaction point, and a fluorescence label were synthesized, while cellulose membranes were carboxymethylated. The content of the carboxyl group was evaluated by titration. Subsequently, the glycoconjugate polymers were immobilized on the cellulose membranes by amide linkages formed by condensation reaction. Analysis of the luminescence of the fluorescence labels revealed that the glycoconjugate polymers had been immobilized on the cellulose membranes. Examination of lectin adsorption by the glycoconjugate polymer on the membrane revealed that the membrane with the immobilized mannose-having polymer adsorbed 53% of the applied ConA and the membrane with the immobilized lactose-having polymer adsorbed 83% of the applied RCA120. The membrane with immobilized glycoconjugate polymers selectively adsorbed each lectin. In addition, membranes with different types of immobilized glycoconjugate polymers were used in stacks, and in this case, the membranes selectively adsorbed lectin. Thus, membranes with immobilized glycoconjugate polymers efficiently and easily purify lectin.

  制备了具有固定化糖结合聚合物的膜，并对凝集素吸附性进行了评估。合成了具有碳水化合物、乳糖和甘露糖、反应点的氨基和荧光标记的糖共轭聚合物，同时对纤维素膜进行了羧甲基化。羧基的含量通过滴定法进行评估。随后，通过缩合反应形成的酰胺连接将糖共轭聚合物固定在纤维素膜上。荧光标签的发光分析表明，糖共轭聚合物已被固定在纤维素膜上。对膜上糖结合聚合物对凝集素吸附情况的检测显示，固定了甘露糖聚合物的膜吸附了 53% 的 ConA，固定了乳糖聚合物的膜吸附了 83% 的 RCA120。固定了糖结合聚合物的膜选择性地吸附了每种凝集素。此外，将不同类型的固定化糖结合聚合物的膜堆叠使用，在这种情况下，膜也能选择性地吸附凝集素。因此，带有固定化糖结合聚合物的膜可以高效、轻松地纯化凝集素。
• Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor
  申请人：Ochiai Shouji

  公开号：US20060020182A1

  公开（公告）日：2006-01-26

  A fluorescent monomer compound represented by the following formula (1) is provided: wherein Q, Q′ and D 3 may be the same or different, may be combined together into a fused ring, and are each a substituent selected from the group consisting of a hydrogen atom, a halogen atom, a hydroxyl group, and substituted or unsubstituted alkyl, acyl, oxyalkyl, carboxyl, carboxylate ester, carboxamido, cyano, nitro, amino and aminoalkyl groups; and D 1 , D 2 and D 4 each represent a substituent, wherein at least one of D 1 , D 2 and D 4 is a substituent group comprising a vinyl group at an end thereof, and wherein the substituent group comprising a vinyl group at an end thereof enables the fluorescent monomer compound to be soluble in water.

  提供以下式（1）所代表的荧光单体化合物：其中Q、Q'和D3可以相同也可以不同，可以结合成融合环，并且每个都是从氢原子、卤素原子、羟基以及取代或未取代的烷基、酰基、氧烷基、羧基、羧酯、羧胺、氰基、硝基、氨基和氨基烷基等基团中选择的取代基；D1、D2和D4各代表一个取代基，其中D1、D2和D4中至少有一个是在其末端包含乙烯基的取代基团，且在末端包含乙烯基的取代基团使得该荧光单体化合物可溶于水。
• Peptide-mediated delivery of immunoglobulins across the blood-brain barrier
  申请人：Mayo Foundation for Medical Education and Research

  公开号：US10072065B2

  公开（公告）日：2018-09-11

  Provided herein are materials and methods for delivering immunoglobulins (e.g. therapeutic immunoglobulins) across the blood-brain barrier.

  本文提供了穿过血脑屏障递送免疫球蛋白（如治疗性免疫球蛋白）的材料和方法。