氨甲酸,[4-[(4-氨基苯基)甲基]苯基]-,1,1-二甲基乙基酯 | 135680-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氨甲酸,[4-[(4-氨基苯基)甲基]苯基]-,1,1-二甲基乙基酯
• 英文名称: tert-butyl (4-(4-aminobenzyl)phenyl)carbamate
• 英文别名: 4-(4-tert-butoxycarbonylaminobenzyl)aniline；N-{4-[(4-aminobenzyl)phenyl]}carbamic acid 1,1-dimethylethyl ester；4'-(tert-butoxycarbonylamino)diphenylmethan-4-amin；4-(4-tert-butoxycarbamoylbenzyl)aniline；[4-(4-aminobenzyl)phenyl]carbamic acid tert-butyl ester；4-(4-(tert-butoxycarbonylamino)phenyl)methylaniline；4-(4-(2-propoxycarbonylamino)phenyl)methylaniline；N-t-butoxycarbonyl-4,4'-diaminodiphenylmethane；N-(t-butoxylcarbonyl)-4,4'methylenedianiline；Tert-butyl 4-(4-aminobenzyl)phenylcarbamate；tert-butyl N-[4-[(4-aminophenyl)methyl]phenyl]carbamate
• CAS: 135680-03-4
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: BVQMUAAELWHQSF-UHFFFAOYSA-N

物化性质

• 熔点：
  129-130 °C
• 沸点：
  414.8±33.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氨甲酸,[4-[(4-氨基苯基)甲基]苯基]-,1,1-二甲基乙基酯 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 N-(4-{4-[2-(1-pyrrolidinyl)acetylamino]benzyl}phenyl)carbamic acid 1,1-dimethylethyl ester
  参考文献：
  名称：

  Synthesis of GN8 derivatives and evaluation of their antiprion activity in TSE-infected cells

  摘要：

  A series of GN8 derivatives were synthesized from various diamines, carboxylic acid derivatives, and nitrogen nucleophiles, and their antiprion activity was tested in TSE-infected mouse neuronal cells. We found that two ethylenediamine units, hydrophobic substituents on the nitrogen atoms, and the diphenylmethane scaffold were essential structural features responsible for the activity. Seven derivatives bearing substituents at the benzylic position exhibited an improved antiprion activity with the IC50 values of 0.51-0.83 mu M. Conformational analysis of model compounds suggested that the introduction of the substituent at the benzylic position restricted the conformational variability of the diphenylmethane unit. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.132
• 作为产物：
  描述：

  4,4'-二氨基二苯甲烷 生成 氨甲酸,[4-[(4-氨基苯基)甲基]苯基]-,1,1-二甲基乙基酯
  参考文献：
  名称：

  MEASE, R. C.;GESTIN, J. F.;MEINKEN, G. E.;SRIVASTAVA, S. C., J. LABELL. COMPOUNDS AND RADIOPHARM., 30,(1991) N, C. 196-197

  摘要：

  DOI：

文献信息

• Synthesis and Site-selective Metalation of a Benzene-o-dithiol/ Pyridylimine Ligand
  作者：Johannes Dömer、Tania Pape、F. Ekkehardt Hahn

  DOI：10.1515/znb-2010-0405

  日期：2010.4.1

  The benzene-o-dithiol/pyridylimine (S-S)/(N-N) ligand H₂-7, representing the first example of a new type of bis(bidentate) heterodonor ligands with a mixed donor set, has been synthesized by Schiff base condensation of pyridine-2-carbaldehyde with an amine-substituted benzene-o-dithiol moiety. Bis(cyclopentadienyl)titanium dichloride reacts selectively at the S-S donor group of H₂-7 to yield complex [Cp₂Ti(7)].

  苯基-o-二硫醇/吡啶基亚胺（S-S)/(N-N)配体H₂-7，代表了一种新型双（双齿）异供体配体的首个示例，它具有混合供体集，是通过吡啶-2-甲醛与含有氨基的苯基-o-二硫醇部分的Schiff碱缩合反应合成的。二氯二(环戊二烯基)钛在H₂-7的S-S供体组上选择性反应，生成配合物[Cp₂Ti(7)]。

• INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS
  申请人：Dumas Jacques

  公开号：US20120046290A1

  公开（公告）日：2012-02-23

  This invention relates to the use of a group of aryl ureas in treating cytokine mediated diseases, other than cancer and proteolytic enzyme mediated diseases, other than cancer, and pharmaceutical compositions for use in such therapy.

  本发明涉及一组芳香脲在治疗细胞因子介导的疾病（除癌症外）和蛋白水解酶介导的疾病（除癌症外）中的用途，以及用于此类治疗的药物组合物。
• Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas
  申请人：Miller Scott

  公开号：US20080269265A1

  公开（公告）日：2008-10-30

  This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗raf介导的疾病，以及用于该疗法的药物组合物。
• Inhibition of raf kinase using symmetrical and unsymmetrical substituted diphenyl ureas
  申请人：Bayer Corporation

  公开号：EP1449834A3

  公开（公告）日：2004-12-22

  This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗raf介导的疾病，以及用于该疗法的药物组合物。
• Synthesis and Antiplasmodial Activity of Novel Fosmidomycin Derivatives and Conjugates with Artemisinin and Aminochloroquinoline
  作者：Despina Palla、Antonia I. Antoniou、Michel Baltas、Christophe Menendez、Philippe Grellier、Elisabeth Mouray、Constantinos M. Athanassopoulos

  DOI：10.3390/molecules25204858

  日期：——

  the development of drug resistance by Plasmodium falciparum. The antibiotic fosmidomycin (FSM) is also known for its antimalarial activity by targeting the non-mevalonate isoprenoid synthesis pathway, which is essential for the malaria parasites but is absent in mammalians. In this study, we synthesized and evaluated against the chloroquine-resistant P. falciparum FcB1/Colombia strain, a series of FSM

  尽管作出了许多努力，但疟疾仍然是全世界最成问题的传染病之一，主要是由于恶性疟原虫产生了耐药性。抗生素磷磷霉素（FSM）还具有靶向非甲羟戊酸类异戊二烯合成途径的抗疟疾活性，该途径对疟疾寄生虫至关重要，但在哺乳动物中却不存在。在这项研究中，我们合成并针对抗氯喹的恶性疟原虫FcB1 / Colombia菌株，一系列FSM类似物，衍生物和与其他抗疟疾药物（如青蒿素（ART）和氨基氯喹啉（ACQ））的缀合物进行了合成和评估。生物学评估发现，有四种新化合物具有比FSM更高的抗疟活性：两种FSM-ACQ衍生物和两种FSM-ART结合物，其有效活性是FSM的3.5-5.4和41.5-23.1倍，