N-(1-Methyl-2-phenylethyl)harnstoff | 33061-37-9

• 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: N-(1-Methyl-2-phenylethyl)harnstoff
• 英文别名: 1-Benzyl-ethyl-harnstoff；(1-Methyl-2-phenyl)-ethylharnstoff；N-(α-Methyl-phenethyl)-harnstoff；N-(1-Methyl-2-phenyl-aethyl)-harnstoff；(1-Methyl-2-phenyl-aethyl)-harnstoff；(1-methyl-2-phenyl-ethyl)-urea；(alpha-Methylphenethyl)urea；1-phenylpropan-2-ylurea
• CAS: 33061-37-9
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: MINRAHHYKBIQPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  154 °C
• 沸点：
  306.1±25.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(1-Methyl-2-phenylethyl)harnstoff 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-Oxo-2-<β-phenyl-isopropylimino>-5-phenyl-oxazolidin
  参考文献：
  名称：

  Najer,H.; Giudicelli,R., Bulletin de la Societe Chimique de France, 1961, p. 1231 - 1238

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 、 苯 作用下， 生成 N-(1-Methyl-2-phenylethyl)harnstoff
  参考文献：
  名称：

  Analysis of the Immune Response against Tetanus Toxoid: Enumeration of Specific T Helper Cells by the Elispot Assay

  摘要：

  Tetanus toxoid (IT) is an antigen known to induce strong T cell specific immune responses in humans after vaccination. Here we have used the Elispot assay to assess the number of TT specific interferon-gamma (IFN-gamma) secreting T cells present in individuals and monitored the number of TT specific T cells present in the donors for more than two years. In each of the 22 healthy volunteers tested, TT specific T cells could be detected. Six out of 7 repetitively tested donors shoved a remark-ably constant number of TT specific IFN-gamma secreting T cells over several months, whereas one donor demonstrated a transient increase during a flu-Nice infection. Three healthy donors received TT booster-immunizations and showed significant increases in the number of TT-specific IFN-gamma secreting T cells which reached peak levels by 4 weeks after vaccination. Depletion of either CD4(+) cells, CD8(+) T cells or CD16(+)/CD56(+) T cells lay immunomagnetic separation demonstrated that TT specific IFN-gamma secretion is mediated exclusively by CD4(+) T cells. In addition, HLA class-I anti -II blocking studies showed that IFN-gamma production is performed by HL class-II restricted cells. Our data show that the Elispot assay can be reliably used to assess the number of TT specific CD4(+) IFN-gamma producing cells (i.e. probably T helper cells) and therefore maybe also useful for the assessment of reactions to other helper antigens.

  DOI：

  10.1078/0171-2985-00131

文献信息

• Die Synthese von 6,7-Dihydro-2<i>H</i>-pyrimido[6, 1-<i>a</i>]isochinolin-4(3<i>H</i>)-onen und analogen Verbindungen und deren Wirkung als Blutpättchenaggregationshemmer
  作者：Frank Kienzle、Yves Bounameaux、Rudolf E. Minder、Reto Muggli

  DOI：10.1002/hlca.19860690722

  日期：1986.10.29

  Synthesis of 6,7-Dihydro-2H-pyrimido[6,1-a]isoquinolin-4(3H)-ones and Analogous Compounds and their Activity as Blood-Platelet Inhibitors

  6,7-二氢-2 H-嘧啶基[6,1 - a ]异喹啉-4（3 H）-ones及其类似化合物的合成及其作为血小板抑制剂的活性
• Process for preparing phenylisopropylurea compounds
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0182166A2

  公开（公告）日：1986-05-28

  A new and improved process for making phenylisopropylurea derivatives having the formula: wherein R' is selected from hydrogen, halogen, alkyl, alkenyl, haloalkyl or R2 groups and R2 is selected from phenyl, alkyl-substituted phenyl alkoxy-substituted phenyl or haloalkyl-substituted phenyl is disclosed. The process comprises reacting a substituted urea of the formula: with an alkenyl aromatic compound of the formula: in a polar aprotic solvent, in the presence of an acid catalyst, preferably, sulfuric acid, substituted sulfonic acids or Lewis acids, and stirring the reaction mixture at a temperature of about 20 to 80°C until formation of the precipitated phenylisopropylurea derivative is substantially complete.

  一种用于制造具有以下式子的苯基异丙基脲衍生物的改进型新工艺： 其中 R' 选自氢、卤素、烷基、烯基、卤代烷基或 R2 基团，R2 选自苯基、烷基取代的苯基、烷氧基取代的苯基或卤代烷基取代的苯基。该工艺包括使式如下的取代脲发生反应： 与式中的烯基芳香化合物反应： 在极性非烷基溶剂中，在酸催化剂（最好是硫酸、取代磺酸或路易斯酸）存在下，在约 20 至 80°C 的温度下搅拌反应混合物，直到沉淀的苯基异丙基脲衍生物的形成基本完成。
• Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals
  申请人：THE UNIVERSITY OF MELBOURNE

  公开号：US10544164B2

  公开（公告）日：2020-01-28

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilising the radiolabelled compounds of the invention.

  本发明涉及可用作金属配体、含有分子识别基团或可与分子识别基团结合的化合物以及制造这些化合物的方法。一旦含有分子识别基团的化合物与合适的金属放射性核素配位，配位后的化合物就可用作放射治疗和诊断成像领域的放射性药物。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。
• Najer,H. et al., Bulletin de la Societe Chimique de France, 1960, p. 2052 - 2061
  作者：Najer,H. et al.

  DOI：——

  日期：——
• 2-amino-5-Aryl-2-oxazolines. Potent New Anorectic Agents
  作者：George I. Poos、John R. Carson、Janet D. Rosenau、Adolph P. Roszkowski、Nancy M. Kelley、Janet McGowin

  DOI：10.1021/jm00339a011

  日期：1963.5