bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate | 395639-03-9

• 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: bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate
• 英文别名: N,N-DI-Boc-4-nitroaniline；tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-nitrophenyl)carbamate
• CAS: 395639-03-9
• 化学式: C₁₆H₂₂N₂O₆
• 分子量: 338.36
• InChiKey: QYACWUAPVKEIAD-UHFFFAOYSA-N

物化性质

• 沸点：
  427.3±47.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate 在 palladium 10% on activated carbon 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 32.0h， 生成 特定基氨基甲酸脂酶
  参考文献：
  名称：

  FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF

  摘要：

  本发明涉及具有环氨基羟肟或环氨基脒基团的新型噁唑烷酮衍生物，其药学上可接受的盐，制备方法以及包含它们的药物组合物。具有环氨基羟肟或环氨基脒基团的噁唑烷酮衍生物或其药学上可接受的盐可有效用于作为抗凝剂治疗血栓栓塞和肿瘤，基于对因子Xa的抑制。

  公开号：

  US20110112083A1
• 作为产物：
  描述：

  4-硝基苯胺 以100的产率得到bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate
  参考文献：
  名称：

  FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF

  摘要：

  本发明涉及具有环状酰胺肟或环状酰胺腙基团的新型噁唑烷衍生物，其药学上可接受的盐，制备方法和包含它们的制药组合物。具有环状酰胺肟或环状酰胺腙基团的噁唑烷衍生物或其药学上可接受的盐，可有效用于治疗血栓栓塞和肿瘤，作为抗凝剂基于对于因子Xa的抑制。

  公开号：

  US20110112083A1

文献信息

• Selective nitrolytic deprotection of N -BOC-amines and N -BOC-amino acids derivatives
  作者：Paolo Strazzolini、Tiziana Melloni、Angelo G Giumanini

  DOI：10.1016/s0040-4020(01)00900-0

  日期：2001.10

  configuration of the substrates and without affecting copresent Z and ester functions, with a remarkable selectivity towards acid sensitive t-butyl esters. The obtained amino acids esters, isolated and characterized in the form of nitrates salts, proved to be suitable intermediates to be used in peptide synthesis.

  使用HNO去保护的方法的延伸3在CH 2氯2到多个适当选择的Ñ -BOC-掩蔽胺和天然氨基酸的衍生物进行了研究。发现该方法对几乎所有测试的底物均有效，但活化的芳族胺和杂环不可避免地会经历更快的氧化。丙氨酸，苯丙氨酸，丝氨酸和赖氨酸衍生物以及二肽Ala–Phe被有效地脱保护，保留了底物的构型且不影响共存的Z和酯功能，对酸敏感的t具有显着的选择性。丁酯。分离出并以硝酸盐的形式表征的所得氨基酸酯被证明是适用于肽合成的中间体。
• SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION
  申请人：Conn P. Jeffrey

  公开号：US20110124663A1

  公开（公告）日：2011-05-26

  In one aspect, the invention relates to compounds having a general structure: wherein the variables are defined herein, which are useful as allosteric potentiators/positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds, for example, in treating neurological and psychiatric disorders or other disease state associated with glutamate dysfunction. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及具有一般结构的化合物：其中变量如本文所定义，这些化合物可用作代谢型谷氨酸受体亚型4（mGluR4）的变构增强剂/正变构调节剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物的方法，例如在治疗神经和精神障碍或其他与谷氨酸功能障碍相关的疾病状态中。本摘要旨在作为在特定领域搜索的扫描工具，并不意味着对本发明的限制。
• WO2008/140220
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF<br/>[FR] INHIBITEURS DE FXA AVEC L'AMIDOXIME CYCLIQUE OU L'AMIDRAZONE CYCLIQUE EN TANT QUE SOUS-UNITÉ P4, PROCÉDÉS POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES ET DÉRIVÉS DE CEUX-CI
  申请人：LEGOCHEM BIOSCIENCE LTD

  公开号：WO2010002115A3

  公开（公告）日：2010-03-11
• Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 1: SAR of modifications to the central aryl core
  作者：Pedro M. Garcia-Barrantes、Hyekyung P. Cho、Anna L. Blobaum、Colleen M. Niswender、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2015.10.013

  日期：2015.11

  This Letter describes the lead optimization of the VU0486321 series of mGlu(1) positive allosteric modulators (PAMs). While first generation PAMs from Roche were reported in the late 1990s, little effort has focused on the development of mGlu(1) PAMs since. New genetic data linking loss-of-function mutant mGlu(1) receptors to schizophrenia, bipolar disorder and other neuropsychiatric disorders has rekindled interest in the target, but the ideal in vivo probe, for example, with good PK, brain penetration and low plasma protein binding, for robust target validation has been lacking. Here we describe the first modifications to the central aryl core of the VU0486321 series, where robust SAR was noted. Moreover, structural variants were identified that imparted selectivity (up to >793-fold) versus mGlu(4). (C) 2015 Elsevier Ltd. All rights reserved.