5-氨基-2-异丙基苯酚 | 850085-99-3

• 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: 5-氨基-2-异丙基苯酚
• 英文名称: 5-amino-2-isopropylphenol
• 英文别名: 5-amino-2-i-propylphenol；5-amino-2-propan-2-ylphenol
• CAS: 850085-99-3
• 化学式: C₉H₁₃NO
• 分子量: 151.208
• InChiKey: BPCCNIHWUWYKLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  5-氨基-2-异丙基苯酚 在 盐酸 、 caesium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 N-(4-isopropyl-3-(3-methylbut-2-enyloxy)phenylthiazol)-2-amine
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037
• 作为产物：
  描述：

  2-异丙基-5-硝基苯胺 在 platinum(IV) oxide 氢气 、 sodium nitrite 作用下， 80.0 ℃ 、101.33 kPa 条件下， 生成 5-氨基-2-异丙基苯酚
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037

文献信息

• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Binch Hayley

  公开号：US20100168094A1

  公开（公告）日：2010-07-01

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating diseases using such CFTR modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及利用这些CFTR调节剂治疗疾病的方法。
• Antibacterial Agents
  申请人：Aldrich Courtney

  公开号：US20080293666A1

  公开（公告）日：2008-11-27

  The invention provides compounds of formula (I) and salts thereof: R 1 -L-R 2 —B wherein R 1 , L, R 2 , and B have any of the values defined herein, as well as compositions comprising such compounds, and therapeutic methods comprising the administration of such compounds or salts. The compounds block siderophore production in bacteria and are useful as antibacterial agents.

  这项发明提供了化合物的公式(I)及其盐：R1-L-R2—B，其中R1、L、R2和B具有本文中定义的任何值，以及包含这种化合物的组合物，以及包含这种化合物或盐的治疗方法。这些化合物可以阻断细菌中的铁载体产生，并可用作抗菌剂。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• Synthesis and SAR of 4-(3-hydroxyphenylamino)pyrrolo[2,1-f][1,2,4]triazine based VEGFR-2 kinase inhibitors
  作者：Robert M. Borzilleri、Zhen-wei Cai、Christopher Ellis、Joseph Fargnoli、Aberra Fura、Tracy Gerhardt、Bindu Goyal、John T. Hunt、Steven Mortillo、Ligang Qian、John Tokarski、Viral Vyas、Barri Wautlet、Xioping Zheng、Rajeev S. Bhide

  DOI：10.1016/j.bmcl.2004.12.079

  日期：2005.3

  A versatile synthesis of the suitably functionalized pyrrolo[2,1-f][1,2,4]triazine nucleus is described. SAR at the C-5 and C-6 positions of the 4-(3-hydroxy-4-methylphenylamino)pyrrolo[2,1-f][1,2,4]triazine template led to compounds with good in vitro potency against VEGFR-2 kinase. Glucuronidation of the phenol group is mitigated by incorporation of a basic amino group on the C-6 side chain of the

  描述了适当官能化的吡咯并[2,1-f] [1,2,4]三嗪核的通用合成方法。4-（3-羟基-4-甲基苯基氨基）吡咯并[2,1-f] [1,2,4]三嗪模板的C-5和C-6位置处的SAR导致化合物具有良好的体外抗药性VEGFR-2激酶。通过在吡咯并三嗪核的C-6侧链上引入碱性氨基来减轻酚基的葡萄糖醛酸化。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130165442A1

  公开（公告）日：2013-06-27

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜电导调节器、其组成物以及使用它们的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。