H-Lys(Boc)-ol | 359867-97-3

• 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: H-Lys(Boc)-ol
• 英文别名: H-Lys(Boc)-CH2OH；(S)-tert-butyl (5-amino-6-hydroxyhexyl)carbamate；tert-butyl (S)-(5-amino-6-hydroxyhexyl)carbamate；(S)-(5-amino-6-hydroxyhexyl)carbamic acid tert-butyl ester；Nε-(tert-butoxycarbonyl)-L-lysinol；N^ε-(tert-butoxycarbonyl)-L-lysinol；(S)-(5-Amino-6-hydroxy-hexyl)-carbamic acid tert-butyl ester；tert-butyl N-[(5S)-5-amino-6-hydroxyhexyl]carbamate
• CAS: 359867-97-3
• 化学式: C₁₁H₂₄N₂O₃
• 分子量: 232.323
• InChiKey: PKQRDACDTZZJTB-VIFPVBQESA-N

物化性质

• 沸点：
  387.9±32.0 °C(Predicted)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  84.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  H-Lys(Boc)-ol 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 二乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 生成 N-acetyl-3[2-(oxocyclohexyl)thio]-alanine-Val-Lys(Boc)-CH2OH
  参考文献：
  名称：

  Aspartic Protease Inhibitors Designed from Computer-Generated Templates Bind As Predicted

  摘要：

  [GRAPHICS]Novel tripeptide-derived peptidomimetics 1, 7ab, and 8ab, inspired by templates generated by the structure generating program GrowMol, were synthesized, shown to inhibit Rhizopus chinensis pepsin, and found by Xray crystallography to bind to the enzyme in the GrowMol-predicted mode, Repetitive evaluation of the computer generated templates for synthetic feasibility and optimal enzyme interactions led to the designed compounds.

  DOI：

  10.1021/ol016090+
• 作为产物：
  描述：

  Z-Lys-O-Suc 在 钯 sodium tetrahydroborate 、 氢气 作用下， 以 甲醇 为溶剂， 生成 H-Lys(Boc)-ol
  参考文献：
  名称：

  Inhibition ofAchromobacterProtease I by Lysinal Derivatives

  摘要：

  化学合成了 Z-Val-、Z-Pro-、Z-Leu-Leu-、Z-Leu-Pro-赖氨醛和 BZ-DL 赖氨醛，并将其作为赖氨酸特异性丝氨酸蛋白酶 Achromobacter protease I (API) 的新型抑制剂进行了测试。在测试的赖氨酸醛衍生物中，Z-缬氨酰-赖氨酸醛是最有效的竞争性抑制剂，在与 Tos-Lys-OMe 进行的酯解试验中，其 Ki 值估计为 6.5 nM。在酰胺分解试验中，Z-Leu-Leu-lysinal 是最有效的抑制剂，其明显的抑制模式是非竞争性的。其他赖氨醛衍生物在酯解和酰胺解试验中的 Kis 值都比 Leupeptin 低 103 倍以上。缺少醛基的 Z-缬氨酰赖氨酸醇是一种竞争性很差的抑制剂。这些结果表明，酰基、酰基氨基酰基和酰基肽基赖氨醇是 Achromobacter 蛋白酶 I 的过渡态抑制剂。

  DOI：

  10.1271/bbb.56.1604

文献信息

• Amphiphilic dendronized homopolymers
  作者：Wen Li、AFang Zhang

  DOI：10.1007/s11426-010-4136-3

  日期：2010.12

  A series of second generation of amphiphilic dendronized homopolymers are efficiently synthesized, and their thermoresponsiveness in aqueous solutions and secondary structures in methanol solutions are described. These polymers are constructed in each repeat unit with various generations of hydrophobic 4-aminoproline and hydrophilic oligoethylene glycol (OEG)-based dendrons, and their over-all hydrophilicity is tuned by varying these dendron generations. Polymers with or without the first generation of proline dendron show good water solubility at room temperature, but exhibit typical thermoresponsive behaviors at elevated temperatures as characterized by turbidity measurements using UV-vis spectroscopy, while the polymer with the secondary generation of proline dendron is not soluble in water. All polymers show ordered secondary structures as evidenced by the optical rotation and circular dichroism experiments. Finally, assembly of these amphiphilic homopolymers into porous films via breath figure (BF) technique is described, and polymer structures are found to show significant influence on the morphology of porous film.

  一系列第二代两亲性树枝化均聚物的合成效率很高，并且描述了它们在水溶液中的热响应性和甲醇溶液中的二级结构。这些聚合物在每个重复单元中构建了不同代数的疏水性4-氨基脯氨酸和亲水性聚氧乙烯甘油（OEG）基树枝状物，并通过改变这些树枝状物的代数来调节它们的整体亲水性。含有或不含第一代脯氨酸树枝状物的聚合物在室温下表现出良好的水溶性，但在升温时表现出典型的热响应行为，这是通过紫外-可见光谱法测定浊度来表征的，而含有第二代脯氨酸树枝状物的聚合物在水中不溶。所有聚合物都显示出有序的二级结构，光学旋转和圆二色实验证明了这一点。最后，描述了这些两亲性均聚物通过呼吸图案（BF）技术组装成多孔膜，并且发现聚合物结构对多孔膜的形态有显著影响。
• MACROCYCLIC IMMUNOMODULATORS
  申请人：CHEMOCENTRYX, INC.

  公开号：US20190048022A1

  公开（公告）日：2019-02-14

  Compounds are provided that are useful as immunomodulators. The compounds have the following Formula (I) or (II): including stereoisomers and pharmaceutically acceptable salts thereof, wherein R, R 1 , R 2a , R 2b , R 2c , R 3 , R 4 , R 5 , R 6a , R 6b , R 6c , m and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  提供了作为免疫调节剂有用的化合物。这些化合物具有以下的化学式(I)或(II)：包括其立体异构体和药学上可接受的盐，其中R、R1、R2a、R2b、R2c、R3、R4、R5、R6a、R6b、R6c、m和n的定义如本文所述。还公开了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。
• LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS
  申请人：Jonckers Tim Hugo Maria

  公开号：US20090118339A1

  公开（公告）日：2009-05-07

  The present invention concerns lysine related derivatives, their use as protease inhibitors, in particular as HIV aspartyl protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. The present invention also concerns combinations of the present lysine related derivatives with another anti retroviral agent. It further relates to their use in assays as reference compounds or as reagents.

  本发明涉及赖氨酸相关衍生物，它们作为蛋白酶抑制剂的用途，特别是作为HIV天冬氨酸蛋白酶抑制剂，它们的制备过程以及包含它们的制药组合物和诊断试剂盒。本发明还涉及本赖氨酸相关衍生物与另一种抗逆转录病毒药物的组合。它还涉及它们作为参考化合物或试剂在检测中的用途。
• Lysine related derivatives as HIV aspartyl protease inhibitors
  申请人：Janssen R&D Ireland

  公开号：US08318779B2

  公开（公告）日：2012-11-27

  The present invention concerns lysine related derivatives, their use as protease inhibitors, in particular as HIV aspartyl protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. The present invention also concerns combinations of the present lysine related derivatives with another anti retroviral agent. It further relates to their use in assays as reference compounds or as reagents.

  本发明涉及赖氨酸相关衍生物，其用作蛋白酶抑制剂，特别是作为HIV天冬氨酸蛋白酶抑制剂，以及其制备过程，以及包含它们的制药组合物和诊断试剂盒。本发明还涉及将本赖氨酸相关衍生物与另一种抗逆转录病毒药物组合使用。此外，本发明还涉及它们作为参考化合物或试剂在检测中的使用。
• WO2018051197A5
  申请人：——

  公开号：WO2018051197A5

  公开（公告）日：2022-06-01