3-amino-5-(tert-butyl)-2-methoxy-N-methylbenzamide | 473269-71-5

• 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: 3-amino-5-(tert-butyl)-2-methoxy-N-methylbenzamide
• 英文别名: 5-Tert-butyl-2-methoxy-3-methylcarbamoylaniline；3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
• CAS: 473269-71-5
• 化学式: C₁₃H₂₀N₂O₂
• 分子量: 236.314
• InChiKey: YKPKEPGYWUOGFW-UHFFFAOYSA-N

物化性质

• 沸点：
  344.2±42.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  3-amino-5-(tert-butyl)-2-methoxy-N-methylbenzamide 在 碳酸氢钠 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 醋酸异丙酯 为溶剂， 反应 26.0h， 生成 (S)-5-(tert-butyl)-3-(3-(4-((2-((3-ethynyl-5-((1-morpholinopropan-2-yl)carbamoyl)phenyl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)ureido)-2-methoxy-N-methylbenzamide
  参考文献：
  名称：

  [EN] UREA DERIVATIVES USEFUL AS KINASE INHIBITORS
  [FR] DÉRIVÉS D'URÉE UTILISÉS EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  提供了化学式I的化合物，其中R1A至R1E，R2至R5，L和X1至X3的含义如描述中所示，这些化合物具有抗炎活性（例如通过抑制p38丝裂原活化蛋白激酶酶家族中的一个或多个成员；Syk激酶；和酪氨酸激酶Src家族的成员之一）并且在治疗中有用，包括在药物组合中，特别是用于治疗炎症性疾病，包括肺部、眼睛和肠道的炎症性疾病。

  公开号：

  WO2014162126A1
• 作为产物：
  描述：

  5-(tert-butyl)-2-methoxy-N-methyl-3-nitrobenzamide 在 palladium on activated charcoal 、 环己烯 作用下， 以 乙腈 为溶剂， 生成 3-amino-5-(tert-butyl)-2-methoxy-N-methylbenzamide
  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] UREA DERIVATIVES USEFUL AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'URÉE UTILISÉS EN TANT QU'INHIBITEURS DE KINASE
  申请人：RESPIVERT LTD

  公开号：WO2014162126A1

  公开（公告）日：2014-10-09

  There are provided compounds of formula I, wherein R1A to R1E, R2 to R5, L and X1 to X3 have meanings given in the description, which compounds have antiinflammatory activity (e.g. through inhibition of one or more of members of: the family of p38 mitogen-activated protein kinase enzymes; Syk kinase; and members of the Src family of tyrosine kinases) and have use in therapy, including in pharmaceutical combinations, especially in the treatment of inflammatory diseases, including inflammatory diseases of the lung, eye and intestines.

  提供了化学式I的化合物，其中R1A至R1E，R2至R5，L和X1至X3的含义如描述中所示，这些化合物具有抗炎活性（例如通过抑制p38丝裂原活化蛋白激酶酶家族中的一个或多个成员；Syk激酶；和酪氨酸激酶Src家族的成员之一）并且在治疗中有用，包括在药物组合中，特别是用于治疗炎症性疾病，包括肺部、眼睛和肠道的炎症性疾病。
• 1,4-Disubstituted benzo-fused compounds
  申请人：——

  公开号：US20030083333A1

  公开（公告）日：2003-05-01

  Disclosed are novel 1,4-disubstituted benzo-fused compounds wherein G, X, L, Q, n and Y are defined herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds. 1

  揭示了一种新型的1,4-二取代苯并化合物，其中G、X、L、Q、n和Y在此定义。这些化合物在制备用于治疗涉及炎症的疾病或病理状况的药物组合物中很有用，如慢性炎症性疾病。还公开了制备这些化合物的方法。
• Cytokine inhibitors
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040186114A1

  公开（公告）日：2004-09-23

  Disclosed are compounds of formula (I) 1 Where Ar 1 , X, Y, Q, W, R 3 , R 4 , R 5 , R 6 and R y are defined herein. The compounds of the invention inhibit production of cytokines involved in inflammatory processes and are thus useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. The compounds are also useful for treating diseases or conditions related to oncology and anticoagulant or fibrinolytic therapy. Also disclosed are processes for preparing these compounds and pharmaceutical compositions comprising these compounds.

  揭示了公式（I）1的化合物，其中Ar1，X，Y，Q，W，R3，R4，R5，R6和Ry在此处定义。该发明的化合物抑制了与炎症过程相关的细胞因子的产生，因此对于治疗涉及炎症的疾病和病理状况，如慢性炎症性疾病，具有用途。这些化合物还可用于治疗与肿瘤学、抗凝或纤溶疗法相关的疾病或病况。还公开了制备这些化合物的方法以及包含这些化合物的药物组合物。
• Novel carbamate and oxamide compounds
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030092702A1

  公开（公告）日：2003-05-15

  Disclosed are novel aromatic compounds of the formula(I) described herein, wherein G, E, W, Ar, X, Y and Z are disclosed herein. The compounds are useful for treating cytokine mediated diseases or conditions such as chronic inflammatory diseases. Also disclosed are pharmaceutical compositions containing and processes of making such compounds. 1

  本文披露了一种新型芳香化合物，其化学式为(I)，其中G、E、W、Ar、X、Y和Z如本文所述。这些化合物可用于治疗细胞因子介导的疾病或病况，如慢性炎症性疾病。还披露了含有这些化合物的药物组合物和制备这些化合物的方法。
• Cytokine Inhibitors
  申请人：Cirillo Francesco Pier

  公开号：US20060235017A1

  公开（公告）日：2006-10-19

  Disclosed are compounds of formula (I) Where Ar 1 , X, Y, Q, W, R 3 , R 4 , R 5 , R 6 and R y are defined herein. The compounds of the invention inhibit production of cytokines involved in inflammatory processes and are thus useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. The compounds are also useful for treating diseases or conditions related to oncology and anticoagulant or fibrinolytic therapy. Also disclosed are processes for preparing these compounds and pharmaceutical compositions comprising these compounds.

  本发明揭示了式(I)的化合物，其中Ar1、X、Y、Q、W、R3、R4、R5、R6和Ry在本文中有定义。该发明的化合物抑制与炎症过程有关的细胞因子的产生，因此可用于治疗涉及炎症的疾病和病理情况，如慢性炎症性疾病。该化合物还可用于治疗与肿瘤学以及抗凝血或纤溶疗法有关的疾病或病况。还揭示了制备这些化合物的方法和包含这些化合物的制药组合物。