5-环己基邻甲氧基苯胺 | 206559-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-环己基邻甲氧基苯胺
• 英文名称: 5-cyclohexyl-2-methoxybenzenamine
• 英文别名: 5-cyclohexyl-2-methoxy-phenylamine；5-Cyclohexyl-2-methoxyaniline
• CAS: 206559-52-6
• 化学式: C₁₃H₁₉NO
• mdl: MFCD00270102
• 分子量: 205.3
• InChiKey: ZGCZLEYNQKVVMJ-UHFFFAOYSA-N

物化性质

• 熔点：
  66 °C
• 沸点：
  337.8±35.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  5-环己基邻甲氧基苯胺 在 4-二甲氨基吡啶 、 三氯化磷 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 40.08h， 生成 N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
  参考文献：
  名称：

  Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor

  摘要：

  Inhibition of angiogenesis is a promising and clinically validated approach for limiting tumor growth and survival. The receptor tyrosine kinase Tie-2 is expressed almost exclusively in the vascular endothelium and is required for developmental angiogenesis and vessel maturation. However, the significance of Tie-2 signaling in tumor angiogenesis is not well understood. In order to evaluate the therapeutic utility of inhibiting Tie-2 signaling, we developed a series of potent and orally bioavailable small molecule Tie-2 kinase inhibitors with selectivity over other kinases, especially those that are believed to be important for tumor angiogenesis. Our earlier work provided pyridinyl pyrimidine 6 as a potent, nonselective Tie-2 inhibitor that was designed on the basis of X-ray cocrystal structures of KDR inhibitors 34 (triazine) and 35 (nicotinamide). Lead optimization resulted in pyridinyl triazine 63, which exhibited > 30-fold selectivity over a panel of kinases, good oral exposure, and in vivo inhibition of Tie-2 phosphorylation.

  DOI：

  10.1021/jm061107l

文献信息

• Benzothiazoles
  申请人：——

  公开号：US20030144288A1

  公开（公告）日：2003-07-31

  The present invention relates to compounds of the formula 1 wherein R1 and R2 are as described within. The compounds of formula I have been found to be adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A 2A -receptor and they may be used in the treatment of diseases, related to this receptor.

  本发明涉及公式1中的化合物，其中R1和R2如所述。公式I的化合物被发现是腺苷受体配体。具体而言，本发明的化合物对A2A受体具有良好的亲和力，可用于治疗与该受体相关的疾病。
• Pyrrole Derivatives As Pharmaceutical Agents
  申请人：Canne Bannen Lynne

  公开号：US20080234270A1

  公开（公告）日：2008-09-25

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  提供了用于调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性的化合物和组合物，以及用于治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或紊乱的症状的方法。
• Protein kinase modulators and method of use
  申请人：Geuns-Meyer D. Stephanie

  公开号：US20060009453A1

  公开（公告）日：2006-01-12

  The present invention relates to chemical compounds having a general formula I wherein A, B, D, E, G, H 1-5 and R 1-4 are defined herein, and synthetic intermediates, which are capable of modulating various protein kinase receptor enzymes and, thereby, influencing various disease states and conditions related to the activities of these kinases. For example, the compounds are capable of modulating kinase enzymes thereby influencing the process of angiogenesis and treating angiogenesis-related diseases and other poliferative disorders, including cancer and inflammation. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of protein kinases.

  本发明涉及具有通式I的化合物，其中A、B、D、E、G、H1-5和R1-4在此定义，并且合成中间体，这些化合物能够调节各种蛋白激酶受体酶，从而影响与这些激酶活性相关的各种疾病状态和条件。例如，这些化合物能够调节激酶酶，从而影响血管生成的过程，并治疗与血管生成相关的疾病和其他增生性疾病，包括癌症和炎症。本发明还包括包括这些化合物的药物组合物和治疗与蛋白激酶活性相关的疾病状态的方法。
• Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators
  申请人：Bostrom Jonas

  公开号：US20080255122A1

  公开（公告）日：2008-10-16

  The present invention relates to certain novel compounds of the formula (I) to processes for preparing such compounds, to their the utility in modulation of nuclear hormone receptors Liver X Receptor (LXR) α (NR1H3) and/or β (NR1H2) and in treating and/or preventing clinical conditions including cardiovascular diseases such as atherosclerosis; inflammatory diseases, Alzheimer's disease, lipid disorders (dyslipidemias) whether or not associated with insulin resistance, type 2 diabetes and other manifestations of the metabolic syndrome, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及公式(I)的某些新化合物的制备方法，它们在调节核激素受体肝X受体(LXR)α (NR1H3)和/或β (NR1H2)以及治疗和/或预防包括心血管疾病（如动脉硬化）、炎症性疾病、阿尔茨海默病、脂质异常（是否与胰岛素抵抗有关）、2型糖尿病和代谢综合征的其他表现等临床疾病中的应用，以及它们的治疗用途的方法和含有它们的制药组合物。
• DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR
  申请人：Bostrom Jonas

  公开号：US20100016321A1

  公开（公告）日：2010-01-21

  The present invention relates to certain novel compounds of the formula (I) to processes for preparing such compounds, to their utility in modulation of nuclear hormone receptors Liver X Receptor (LXR) α (NR1H3) and/or β (NR1H2) and in treating and/or preventing clinical conditions including cardiovascular diseases such as atherosclerosis; inflammatory diseases, Alzheimer's disease, lipid disorders (dyslipidemias) whether or not associated with insulin resistance, type 2 diabetes and other manifestations of the metabolic syndrome, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及公式（I）的某些新化合物，以及制备这些化合物的过程，它们在调节核激素受体肝X受体（LXR）α（NR1H3）和/或β（NR1H2）以及治疗和/或预防包括心血管疾病（如动脉粥样硬化）、炎症性疾病、阿尔茨海默病、脂质异常（是否伴随胰岛素抵抗）、2型糖尿病和代谢综合征的其他表现等临床疾病方面具有用途，以及它们的治疗使用方法和包含它们的制药组合物。