methyl 4'-[(phenylamino)methyl]biphenyl-2-carboxylate | 868555-43-5

• 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: methyl 4'-[(phenylamino)methyl]biphenyl-2-carboxylate
• 英文别名: methyl 4′-((phenylamino)methyl)[1,1′-biphenyl]-2-carboxylate；methyl 4'-(anilinomethyl)biphenyl-2-carboxylate；methyl 2-[4-(anilinomethyl)phenyl]benzoate
• CAS: 868555-43-5
• 化学式: C₂₁H₁₉NO₂
• 分子量: 317.387
• InChiKey: DYOSUVYIQAJGSU-UHFFFAOYSA-N

物化性质

• 沸点：
  495.7±38.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4'-[(phenylamino)methyl]biphenyl-2-carboxylate 在 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 CAY10583
  参考文献：
  名称：

  作为潜在的伤口愈合促进剂的有效BLT2激动剂的首次结构活性关系研究。

  摘要：

  最近已经出现了第一种强效白三烯B4（LTB4）2型受体（BLT2）激动剂，内源性12（S）-羟基庚七-5 Z，8 E，10 E-三烯酸（12-HHT）和合成的CAY10583（CAY）他描述了通过增强角质形成细胞迁移和间接刺激糖尿病大鼠成纤维细胞活性来加速伤口愈合。CAY代表了开发新型伤口愈合促进剂的非常有价值的起点。在这项工作中，提出了基于CAY支架的BLT2激动剂的第一个结构-活性关系研究。新制备的衍生物显示出有希望的体外伤口愈合活性。

  DOI：

  10.1021/acs.jmedchem.0c00588
• 作为产物：
  描述：

  邻溴苯甲酸甲酯 在 四(三苯基膦)钯 、 magnesium sulfate 、 caesium carbonate 作用下， 以 乙二醇二甲醚 、 氯仿 、 水 、 甲苯 为溶剂， 反应 2.0h， 生成 methyl 4'-[(phenylamino)methyl]biphenyl-2-carboxylate
  参考文献：
  名称：

  作为潜在的伤口愈合促进剂的有效BLT2激动剂的首次结构活性关系研究。

  摘要：

  最近已经出现了第一种强效白三烯B4（LTB4）2型受体（BLT2）激动剂，内源性12（S）-羟基庚七-5 Z，8 E，10 E-三烯酸（12-HHT）和合成的CAY10583（CAY）他描述了通过增强角质形成细胞迁移和间接刺激糖尿病大鼠成纤维细胞活性来加速伤口愈合。CAY代表了开发新型伤口愈合促进剂的非常有价值的起点。在这项工作中，提出了基于CAY支架的BLT2激动剂的第一个结构-活性关系研究。新制备的衍生物显示出有希望的体外伤口愈合活性。

  DOI：

  10.1021/acs.jmedchem.0c00588

文献信息

• NOVEL BIPHENYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES COMPRISING THE SAME AS ACTIVE INGREDIENT
  申请人：Lee Chang Hoon

  公开号：US20150291509A1

  公开（公告）日：2015-10-15

  The present invention relates to a novel biphenyl derivative or a pharmaceutically acceptable salt thereof, a pharmaceutical composition for preventing or treating inflammatory diseases or autoimmune diseases comprising the same as an active ingredient, and methods for treating inflammatory disease or autoimmune diseases with the pharmaceutical composition. Novel biphenyl derivatives according to the present invention promote the phagocytosis of macrophages and inhibit the chemotaxis to exhibit excellent inflammation terminating and anti-inflammatory effects and thus can be effectively used as therapeutic agents for inflammatory diseases or autoimmune diseases.

  本发明涉及一种新的联苯衍生物或其药用可接受的盐，一种用作预防或治疗炎症性疾病或自身免疫疾病的药物组合物，其包含该衍生物作为活性成分，并且使用该药物组合物治疗炎症性疾病或自身免疫疾病的方法。根据本发明的新联苯衍生物促进巨噬细胞的吞噬作用并抑制趋化作用，表现出优异的抗炎和抗炎症效果，因此可以有效地用作炎症性疾病或自身免疫疾病的治疗药物。
• Novel Blt2-Mediated Disease, Blt2 Binding Agent And the Compound
  申请人：Nakade Shinji

  公开号：US20080132574A1

  公开（公告）日：2008-06-05

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I) salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  【问题】需要一种选择性结合于BLT2的化合物和预防和/或治疗BLT2介导的疾病，如皮肤病的药物。 【解决方法】本发明提供具有BLT2结合活性的化合物，其盐，溶剂化物或前药。由于具有BLT2结合活性的化合物，特别是由式（I）表示的化合物，其盐，溶剂化物或前药（式中的符号与说明书具有相同的含义）具有BLT2结合活性，因此对于预防和/或治疗BLT2介导的疾病，例如皮肤病，肠道疾病，HIV感染，获得性免疫缺陷综合症，移植排斥，移植物排斥，移植物抗宿主病，自身免疫性疾病，过敏性疾病，炎症，感染，溃疡，淋巴瘤，恶性肿瘤，白血病，动脉硬化，肝炎，肝硬化或癌症等具有用处。
• BLT2-mediated disease, BLT2 binding agent and the compound
  申请人：Nakade Shinji

  公开号：US08673889B2

  公开（公告）日：2014-03-18

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I), salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  [问题] 需要一种选择性结合于BLT2并用于预防和/或治疗BLT2介导疾病如皮肤病的化合物。 [解决问题的方法] 本发明提供了具有BLT2结合活性的化合物，其盐，溶剂或前药。由于具有BLT2结合活性的化合物，特别是由式(I)表示的化合物，其盐，溶剂或前药（式中符号与说明具有相同的含义）具有BLT2结合活性，因此对于预防和/或治疗BLT2介导疾病，例如皮肤病，肠道疾病，HIV感染，获得性免疫缺陷综合症，移植排斥，移植排斥反应，移植物抗宿主病，自身免疫疾病，过敏性疾病，炎症，感染，溃疡，淋巴瘤，恶性肿瘤，白血病，动脉硬化，肝炎，肝硬化或癌症等方面具有用处。
• NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1745800A1

  公开（公告）日：2007-01-24

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I) , salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  [问题]需要选择性结合 BLT2 的化合物和 BLT2 介导的疾病如皮肤病的预防和/或治疗药物。 [解决问题的方法】本发明提供了具有 BLT2 结合活性的化合物、其盐、其溶液或其原药。由于具有 BLT2 结合活性的化合物，特别是由式（I）代表的化合物 式中的符号含义与说明书相同）具有 BLT2 结合活性，因此可用于预防和/或治疗 BLT2 介导的疾病，例如：皮肤病、肠道疾病、溃疡病、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎等、皮肤病、肠道疾病、艾滋病病毒感染、获得性免疫缺陷综合征、移植排斥、移植排斥、移植物抗宿主疾病、自身免疫性疾病、过敏性疾病、炎症、感染、溃疡、淋巴瘤、恶性肿瘤、白血病、动脉硬化、肝炎、肝硬化或癌症等。
• Novel BLT2-mediated disease, BLT2-binding agent and compound
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP2172222A2

  公开（公告）日：2010-04-07

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS] FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I) , salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  [问题] 需要能选择性地与 BLT2 结合的化合物以及预防和/或治疗 BLT2 介导的疾病 （如皮肤病）的药物。 [解决问题的方法］本发明提供了具有 BLT2 结合活性的化合物、其盐、其溶液或其原药。由于具有 BLT2 结合活性的化合物，特别是式 (I) 所代表的化合物 式中的符号含义与说明书相同）具有 BLT2 结合活性，因此可用于预防和/或治疗 BLT2 介导的疾病，例如：皮肤病、肠道疾病、溃疡病、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎等、皮肤病、肠道疾病、艾滋病病毒感染、获得性免疫缺陷综合征、移植排斥、移植排斥、移植物抗宿主疾病、自身免疫性疾病、过敏性疾病、炎症、感染、溃疡、淋巴瘤、恶性肿瘤、白血病、动脉硬化、肝炎、肝硬化或癌症等。