2-异氰酸-4-异丙基-1-甲基苯 | 171075-55-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 2-异氰酸-4-异丙基-1-甲基苯
• 中文别名: 2-甲氧基柠檬酸酯
• 英文名称: 2-Isocyanato-p-cymol
• 英文别名: 2-Isocyanato-1-methyl-4-(propan-2-yl)benzene；2-isocyanato-1-methyl-4-propan-2-ylbenzene
• CAS: 171075-55-1
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: JPTZJQFPFGGIBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-amino-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalene 、 2-异氰酸-4-异丙基-1-甲基苯 以 四氢呋喃 为溶剂， 生成 1-(5-Isopropyl-2-methyl-phenyl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)-naphthalen-1-yl]-urea
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104
• 作为产物：
  描述：

  光气 、 2-甲基-5-异丙基苯胺 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-异氰酸-4-异丙基-1-甲基苯
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104

文献信息

• [EN] POLYISOCYANATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] COMPOSITION DE POLYISOCYANATES, PROCÉDÉ DE PRÉPARATION S'Y RAPPORTANT ET SON UTILISATION<br/>[ZH] 一种聚异氰酸酯组合物及其制备方法和应用
  申请人：WANHUA CHEMICAL GROUP CO LTD

  公开号：WO2020252807A1

  公开（公告）日：2020-12-24

  一种聚异氰酸酯组合物的制备方法，包括以下步骤：通过在组分B）溶剂和组分C）聚合催化剂存在下使组分A）进行自聚反应，然后通过加入催化剂毒物终止反应，得到聚异氰酸酯组合物；其中，组分A）包含2,4-甲苯二异氰酸酯和2,6-甲苯二异氰酸酯的混合物，组份A）中二卤亚胺的含量低于30重量ppm；聚异氰酸酯组合物的色号≤40Hazen。该方法能够明显降低催化剂用量，使所得聚异氰酸酯组合物具有更低色号，将其应用于漆料中具备更好的耐老化性。
• DDX3X inhibitors, an effective way to overcome HIV-1 resistance targeting host proteins
  作者：Annalaura Brai、Valentina Riva、Francesco Saladini、Claudio Zamperini、Claudia Immacolata Trivisani、Anna Garbelli、Carla Pennisi、Alessia Giannini、Adele Boccuto、Francesca Bugli、Maurizio Martini、Maurizio Sanguinetti、Maurizio Zazzi、Elena Dreassi、Maurizio Botta、Giovanni Maga

  DOI：10.1016/j.ejmech.2020.112319

  日期：2020.8

  The huge resources that had gone into Human Immunodeficiency virus (HIV) research led to the development of potent antivirals able to suppress viral load in the majority of treated patients, thus dramatically increasing the life expectancy of people living with HIV. However, life-long treatments could result in the emergence of drug-resistant viruses that can progressively reduce the number of therapeutic options, facilitating the progression of the disease. In this scenario, we previously demonstrated that inhibitors of the human DDX3X helicase can represent an innovative approach for the simultaneous treatment of HIV and other viral infections such as Hepatitis c virus (HCV). We reported herein 6b, a novel DDX3X inhibitor that thanks to its distinct target of action is effective against HIV-1 strains resistant to currently approved drugs. Its improved in vitro ADME properties allowed us to perform preliminary in vivo studies in mice, which highlighted optimal biocompatibility and an improved bioavailability. These results represent a significant advancement in the development of DDX3X inhibitors as a novel class of broad spectrum and safe anti-HIV-1 drugs. (C) 2020 The Authors. Published by Elsevier Masson SAS.
• Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors
  作者：Pier F. Cirillo、Eugene R. Hickey、Neil Moss、Steffen Breitfelder、Raj Betageri、Tazmeen Fadra、Faith Gaenzler、Thomas Gilmore、Daniel R. Goldberg、Victor Kamhi、Thomas Kirrane、Rachel R. Kroe、Jeffrey Madwed、Monica Moriak、Matthew Netherton、Christopher A. Pargellis、Usha R. Patel、Kevin C. Qian、Rajiv Sharma、Sanxing Sun、Alan Swinamer、Carol Torcellini、Hidenori Takahashi、Michele Tsang、Zhaoming Xiong

  DOI：10.1016/j.bmcl.2009.03.104

  日期：2009.5

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.