3-amino-N-benzylpropanamide hydrochloride | 202819-53-2

• 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: 3-amino-N-benzylpropanamide hydrochloride
• 英文别名: β-alanine benzylamido hydrochloride；3-amino-N-benzylpropionamide hydrochloride；3-amino-N-benzylpropanamide;hydrochloride
• CAS: 202819-53-2
• 化学式: C₁₀H₁₄N₂O*ClH
• 分子量: 214.695
• InChiKey: GESKVRQEQVPAIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  3-amino-N-benzylpropanamide hydrochloride 、 硫光气 在 N-甲基吗啉 作用下， 以 二氯甲烷 为溶剂， 反应 2.17h， 生成 3-Isothiocyanatopropionylbenzylamid
  参考文献：
  名称：

  [EN] BETA-STRAND MIMETICS AND METHOD RELATING THERETO
  [FR] STRUCTURES MIMETIQUES DE BRIN BETA ET PROCEDE ASSOCIE

  摘要：

  披露了在生物活性肽和蛋白质的β-折叠区域模拟次级结构的构象受限化合物。这种β-链模拟结构在广泛领域内具有实用价值，包括用作诊断和治疗药物。还披露了含有本发明的β-链模拟结构的文库，以及筛选这些结构以识别生物活性成员的方法。

  公开号：

  WO2004108731A1
• 作为产物：
  描述：

  Boc-βAla-benzylamide 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.33h， 生成 3-amino-N-benzylpropanamide hydrochloride
  参考文献：
  名称：

  用环肽修饰的金纳米粒子对水中的硫酸根阴离子进行选择性感测。

  摘要：

  结合到混合的单层保护的金纳米颗粒表面的环肽与硫酸根阴离子的相互作用导致纳米颗粒从水溶液中交联并随之沉淀，即使在存在过量竞争性阴离子的情况下也是如此，因此可以用肉眼检测水中的硫酸根。

  DOI：

  10.1039/d0cc04796a

文献信息

• NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Seiwert Scott D.

  公开号：US20090269305A1

  公开（公告）日：2009-10-29

  The embodiments provide compounds of the general Formulae I, II, III, IV, V, VI, VII, and X, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  该实施例提供了一般式I、II、III、IV、V、VI、VII和X的化合物，以及包括药物组合物在内的组合物，其中包括一种主体化合物。该实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用一种主体化合物或组合物的有效量。
• Beta-strand mimetics and method relating thereto
  申请人：Choongwae Pharma Corporation

  公开号：US20040053331A1

  公开（公告）日：2004-03-18

  Conformationally constrained compounds which mimic the secondary structure of &bgr;-strand regions of biologically active peptides and proteins are disclosed. Such &bgr;-strand mimetic structures have utility over a wide range of fields, including use as diagnostic and therapeutic agents. Libraries containing the &bgr;-strand mimetic structures of this invention are also disclosed as well as methods for screening the same to identify biologically active members.

  本发明揭示了在生物活性肽和蛋白质的β-链区域中模拟二级结构的构象约束化合物。这种β-链模拟结构在广泛的领域中具有实用性，包括作为诊断和治疗剂。本发明还揭示了含有这种β-链模拟结构的文库，以及筛选这些结构以识别具有生物活性的成员的方法。
• Macrocyclic inhibitors of hepatitis C virus replication
  申请人：InterMune, Inc.

  公开号：US08048862B2

  公开（公告）日：2011-11-01

  The embodiments provide compounds of the general Formulae I, II, III, IV, V, VI, VII, and X, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本实施例提供公式I、II、III、IV、V、VI、VII和X的化合物，以及包括制剂，包括制药制剂，其中包括主题化合物的组合物。本实施例还提供治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，通常涉及向需要的个体施用主题化合物或组合物的有效量。
• Synthesis and DNA-cleaving activity of lactenediynes conjugated with DNA-complexing moieties
  作者：Luca Banfi、Andrea Basso、Elisabetta Bevilacqua、Valentina Gandolfo、Giuseppe Giannini、Giuseppe Guanti、Loana Musso、Monica Paravidino、Renata Riva

  DOI：10.1016/j.bmc.2008.02.022

  日期：2008.4.1

  Lactenediynes are compounds characterized by the fusion of a beta-lactam with a cyclodeca-3-ene-1,5-diyne. In this work the most promising members of this family have been activated by attaching a carbalkoxy or a carbamoyl group to the azetidinone nitrogen, and conjugated to various DNA-complexing moieties, either acting by intercalation or through groove binding. These conjugated artificial enediynes have been demonstrated to possess in vitro ability to produce single and double strand cleavage of plasmid DNA. As potency and capacity to induce double cut, they rank among the best simple enediyne analogues ever prepared. A thorough investigation was carried out in order to develop the best suited linkers for assembling these conjugates. (C) 2008 Elsevier Ltd. All rights reserved.
• Sulfur incorporation generally improves Ricin inhibition in pterin-appended glycine-phenylalanine dipeptide mimics
  作者：Paul A. Wiget、Lawrence A. Manzano、Jeff M. Pruet、Grace Gao、Ryota Saito、Arthur F. Monzingo、Karl R. Jasheway、Jon D. Robertus、Eric V. Anslyn

  DOI：10.1016/j.bmcl.2013.10.017

  日期：2013.12

  Several 7-aminoamido-pterins were synthesized to evaluate the electronic and biochemical subtleties observed in the 'linker space' when N-N-(pterin-7-yl)carbonylglycyl}-l-phenylalanine 1 was bound to the active site of RTA. The gylcine-phenylalanine dipeptide analogs included both amides and thioamides. Decarboxy gly-phe analog 2 showed a 6.4-fold decrease in potency (IC50 = 128 μM), yet the analogous thioamide 7 recovered the lost activity and performed similarly to the parent inhibitor (IC50 = 29 μM). Thiourea 12 exhibited an IC50 nearly six times lower than the oxo analog 13. All inhibitors showed the pterin head-group firmly bound in their X-ray structures yet the pendants were not fully resolved suggesting that all pendants are not firmly bound in the RTA linker space. Calculated log P values do not correlate to the increase in bioactivity suggesting other factors dominate.