Bu^tCO-D-Pro-OH | 145612-92-6

• 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: Bu^tCO-D-Pro-OH
• 英文别名: Piv-D-Pro-OH；1-(2,2-dimethylpropanoyl)-L-proline；(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
• CAS: 145612-92-6
• 化学式: C₁₀H₁₇NO₃
• 分子量: 199.25
• InChiKey: PKLZSYAHHJSOFE-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲氧基亚苯基肼 、 Bu^tCO-D-Pro-OH 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以89%的产率得到(2R)-1-(2,2-dimethylpropanoyl)-N'-(2-methoxybenzoyl)pyrrolidine-2-carbohydrazide
  参考文献：
  名称：

  Diastereomeric Recognition of Chiral Foldamer Receptors for Chiral Glucoses

  摘要：

  Three chiral aromatic hydrazide foldamers have been designed and synthesized, in which two R- or S-proline units were incorporated at the terminals of their backbones. The H-1 NMR, circular dichroism (CD), and fluorescent experiments and molecular dynamics simulations revealed that the foldamers adopted a chiral helical conformation and complexed alkylated glucoses in chloroform with a good diastereomeric selectivity.

  DOI：

  10.1021/ol070492l
• 作为产物：
  描述：

  三甲基乙酰氯 、 D-脯氨酸 在 sodium hydroxide 作用下， 以100%的产率得到Bu^tCO-D-Pro-OH
  参考文献：
  名称：

  Tamiaki, Hitoshi; Maruyama, Kazuhiro, Journal of the Chemical Society. Perkin transactions I, 1992, # 18, p. 2431 - 2436

  摘要：

  DOI：

文献信息

• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES
  申请人：CHIESI FARMA SPA

  公开号：WO2013083604A1

  公开（公告）日：2013-06-13

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: formula (I) wherein R2, W, A, Y and R1 are as defined in the specification, are p38 MAPK inhibitors, useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract.

  式（I）的化合物或其药学上可接受的盐：式（I）其中R2、W、A、Y和R1如规范中定义，是p38 MAPK抑制剂，可用作抗炎药物，治疗呼吸道疾病等疾病。
• KINASE INHIBITORS
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：US20130150343A1

  公开（公告）日：2013-06-13

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wherein R 2 , W, A, Y and R 1 are as defined in the specification, are p38 MAPK inhibitors, and are useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract.

  式(I)的化合物及其药用盐：其中R2、W、A、Y和R1如规范中定义，是p38 MAPK抑制剂，可用作抗炎药物，治疗呼吸道疾病等疾病。
• NEPRILYSIN INHIBITORS
  申请人：Fleury Melissa

  公开号：US20120213807A1

  公开（公告）日：2012-08-23

  In one aspect, the invention relates to compounds having the formula: where R 1 , R 2a , R 2b , R 3 -R 6 , a, b, Z, and X are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and processes and intermediates for preparing such compounds.

  在一个方面，该发明涉及具有以下结构式的化合物：其中R1、R2a、R2b、R3-R6、a、b、Z和X如规范中所定义，或其药用可接受盐。这些化合物具有神经肽酶抑制活性。在另一个方面，该发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及用于制备这些化合物的工艺和中间体。
• Disruption of Native β-Turns: Consequence of Folding Competition between Native and Orthanilic Acid Proline-Based<i>Pseudo</i>β-Turn
  作者：Tukaram S. Ingole、Kuruppanthara N. Vijayadas、K. N. Chaitanya、Amol S. Kotmale、Rupesh L. Gawade、R. G. Gonnade、P. R. Rajamohanan、Gangadhar J. Sanjayan

  DOI：10.1002/ejoc.201501558

  日期：2016.3

  Peptides comprising β‐turn‐forming elements and a pseudo β‐turn (C9 H‐bonding) based on an SAnt‐Pro (orthanilic acid ‐ proline) motif were designed. Conformations were investigated by single‐crystal X‐ray crystallography, 2D NMR spectroscopy, and nOe‐restrained computational studies, which revealed that the peptides exhibit C14 or C9 folding and the native β‐turn (C10 H‐bonding) is disrupted.

  设计了包含β-turn形成元素和基于S Ant-Pro（邻氨基苯甲酸-脯氨酸）基序的假β-turn（C9 H键）的肽。通过单晶X射线晶体学，2D NMR光谱和nOe约束的计算研究对构象进行了研究，结果表明这些肽表现出C14或C9折叠，并且天然的β-turn（C10 H键）被破坏。
• Designed Peptides with Homochiral and Heterochiral Diproline Templates as Conformational Constraints
  作者：Bhaswati Chatterjee、Indranil Saha、Srinivasarao Raghothama、Subrayashastry Aravinda、Rajkishor Rai、Narayanaswamy Shamala、Padmanabhan Balaram

  DOI：10.1002/chem.200702029

  日期：2008.7.7

  of Piv-D-Pro-L-Pro-D-Ala-NHMe (11). An analysis of pyrrolidine conformations suggests a preferred proline puckering geometry is favored only in the case of heterochiral diproline segments. Solution NMR studies, reveal a strong conformational influence of the C-terminal Xxx residues on the structures of diproline segments. In L-Pro-L-Pro-L-Xxx sequences, the Xxx residues strongly determine the population

  已经将双脯氨酸片段作为用于设计的肽中的折叠结构成核的模板。通过对包含L-Pro-L-Pro和D-Pro-L-Pro单元的模型肽进行晶体学和NMR研究，已经探究了可用于同手性和异手性双脯氨酸片段的构象空间。已经研究了四种不同类别的模型肽：a）分离的D-Pro-L-Pro片段，形成II'型β-转角；b）D-Pro-L-Pro-L-Xxx序列，形成II'-I型（betaII'-I，连续的beta圈）圈；c）D-Pro-L-Pro-D-Xxx序列；d）L-Pro-L-Pro-L-Xxx序列。报道了总共17个含有双脯氨酸片段的肽晶体结构。Piv-D-Pro-L-Pro-L-Xxx-NHMe类型的肽构象均一，采用连续的β-转角构象。Piv-D-Pro-L-Pro-D-Xxx-NHMe系列和Piv-L-Pro-L-Pro-L-Xxx-NHMe系列中的肽在晶体中显示结构异质性。在Piv-L-Pro-L-P