tert-butyl N-[1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate | 1360761-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
• CAS: 1360761-72-3
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: NVPOUMXZERMIJK-ABLWVSNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 tert-butyl N-[1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate 以 异丙醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Functionalized hydroxyethylamine based peptide nanostructures as potential inhibitors of falcipain-3, an essential proteases of Plasmodium falciparum

  摘要：

  Self-assembled peptide based nanostructures gained enough popularity due to their easy biocompatibility and numerous potential applications. An excellent model of self-assembly of hydroxyethylamine based peptide nanostructures was synthesized and characterized by DIS and TEM. Spherical nano structures of I and III were observed with particle size similar to 50 and similar to 80 nm, respectively. Further, I and III were screened against anti-malarial target, falcipain-3 (FP3), a crucial cysteine protease involved as a major hemoglobinase of Plasmodium falciparum. Interestingly, compound HI completely inhibited the activity of FP3. The effective concentration (1.5 mu M) of III found to be more potent than I. This biochemical result was substantiated by molecular-docking studies indicating III to be best inhibitor of FP3. This is the first report showing that his hydroxethylamine based peptide nanostructures could be very effective inhibitor. of malarial cysteine proteases. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.052

文献信息

• Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors
  申请人：G.D. Searle & Co.

  公开号：US20030130202A1

  公开（公告）日：2003-07-10

  Selected heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide compounds are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease. The present invention relates to such retroviral protease inhibitors and, more particularly, relates to selected novel compounds, composition and method for inhibiting retroviral proteases, such as human immunodeficiency virus (HIV) protease, prophylactically preventing retroviral infection or the spread of a retrovirus, and treatment of a retroviral infection.

  选择的杂环羰基氨基酸羟乙基氨基磺酰胺化合物被证明是反转录病毒蛋白酶抑制剂，特别是作为HIV蛋白酶的抑制剂。本发明涉及这种反转录病毒蛋白酶抑制剂，更具体地涉及选定的新化合物、组合物和方法，用于抑制反转录病毒蛋白酶，例如人类免疫缺陷病毒（HIV）蛋白酶，预防反转录病毒感染或反转录病毒的传播，并治疗反转录病毒感染。
• Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors
  申请人：Getman P. Daniel

  公开号：US20070037754A1

  公开（公告）日：2007-02-15

  Selected bis-amino acid hydroxyethylamino sulfonamide compounds are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease. The present invention relates to such retroviral protease inhibitors and, more particularly, relates to selected novel compounds, compositions, and methods for inhibiting retroviral proteases, such as human inmmunodeficiency virus (HIV) protease, prophylactically preventing retroviral infection or the spread of a retrovirus, and treatment of a retroviral infection.

  选择性的双氨基酸羟乙基氨磺酰胺化合物被证明是反转录病毒蛋白酶抑制剂，特别是HIV蛋白酶的抑制剂。本发明涉及这种反转录病毒蛋白酶抑制剂，更具体地涉及选定的新化合物、组合物和方法，用于抑制反转录病毒蛋白酶，例如人类免疫缺陷病毒（HIV）蛋白酶，预防反转录病毒感染或反转录病毒的传播，以及治疗反转录病毒感染。
• De Novo Synthesis of Conjugates
  申请人：Riggs-Sauthier Jennifer

  公开号：US20100184989A1

  公开（公告）日：2010-07-22

  The invention provides methods for the preparation of small molecule drugs that are chemically modified by covalent attachment of a water-soluble oligomer obtained from a water-soluble oligomer composition. Such drugs are produced through modification of a synthetic pathway to attach the oligomer to an intermediate compound followed by completion of the synthetic path.

  本发明提供了一种制备化学修饰的小分子药物的方法，其中化学修饰是通过共价连接来自水溶性寡聚物组合物的水溶性寡聚物进行的。这种药物是通过修改合成途径将寡聚物连接到中间化合物，然后完成合成途径而生产的。
• Oligomer-Protease Inhibitor Conjugates
  申请人：Riggs-Sauthier Jennifer

  公开号：US20110269677A1

  公开（公告）日：2011-11-03

  The invention provides protease inhibitors that are chemically modified by covalent attachment of a water-soluble oligomer. A conjugate of the invention, when administered by any of a number of administration routes, exhibits characteristics that are different from the protease inhibitors not attached to the water-soluble oligomer.

  该发明提供了通过共价连接水溶性寡聚体进行化学修饰的蛋白酶抑制剂。该发明的结合物在通过任何一种给药途径进行给药时，表现出与未连接水溶性寡聚体的蛋白酶抑制剂不同的特性。
• Novel Reagents
  申请人：Duarte Franco J.

  公开号：US20110071093A1

  公开（公告）日：2011-03-24

  Oligomeric reagents are provided comprising a moiety of atoms arranged in a specific order, wherein the moiety is positioned between a water-soluble, non-peptidic oligomer and a pharmaceutically active agent. The oligomeric reagents are useful for, among other things, forming oligomer active agent conjugates. Related methods, compositions, preparations, and so forth are also provided.

  提供了含有特定顺序排列的原子团的寡聚试剂，其中该原子团位于水溶性非肽寡聚体和药物活性剂之间。这些寡聚试剂可用于形成寡聚物活性剂偶联物，此外还提供了相关的方法、组合物、制备等。