(anilino-pyridin-2-yl-methyl)-phosphonic acid diphenyl ester | 3360-70-1

• 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: (anilino-pyridin-2-yl-methyl)-phosphonic acid diphenyl ester
• 英文别名: (phenylamino-pyridin-2-yl-methyl)-phosphonic acid diphenyl ester；Diphenyl (alpha-anilino-2-pyridylmethyl)phosphonate；N-[diphenoxyphosphoryl(pyridin-2-yl)methyl]aniline
• CAS: 3360-70-1
• 化学式: C₂₄H₂₁N₂O₃P
• 分子量: 416.416
• InChiKey: MXHHPIZIGHWCOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (anilino-pyridin-2-yl-methyl)-phosphonic acid diphenyl ester 在 盐酸 、 盐酸羟胺 、 ammonium acetate 、 氨 、 caesium carbonate 、 Ammonium hydroxide 、 一水合肼 、 N,N-二异丙基乙胺 、 三氟乙酸酐 、 sodium hydroxide 、 锌 、 三氯氧磷 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 、 乙醇 、 二氯甲烷 、 水 、 异丙醇 为溶剂， 生成 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
  参考文献：
  名称：

  Acidic triazoles as soluble guanylate cyclase stimulators

  摘要：

  A series of acidic triazoles with activity as soluble guanylate cyclase stimulators is described. Incorporation of the CF(3) triazole improved the overall physicochemical and drug-like properties of the molecule and is exemplified by compound 25. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.071
• 作为产物：
  描述：

  吡啶-2-甲醛 、 diphenyl phosphite 、 苯胺 以 异丙醇 为溶剂， 生成 (anilino-pyridin-2-yl-methyl)-phosphonic acid diphenyl ester
  参考文献：
  名称：

  Acidic triazoles as soluble guanylate cyclase stimulators

  摘要：

  A series of acidic triazoles with activity as soluble guanylate cyclase stimulators is described. Incorporation of the CF(3) triazole improved the overall physicochemical and drug-like properties of the molecule and is exemplified by compound 25. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.071

文献信息

• [EN] 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR<br/>[FR] 4-(HETEROCYCLYLE-PHENYLE FUSIONNE)-3-PHENYLE OU PYRID-2-YLE)PYRAZOLES UTILISES COMME INHIBITEURS DU RECEPTEUR DE ALK-5
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004111036A1

  公开（公告）日：2004-12-23

  The invention relates to novel pyrazole derivatives which are inhibitors of the transforming growth factor, ('TGF')-β signalling pathway, in particular, the phosphorylation of smad2 or smad3 by the TGF-β type I or activin-like kinase ('ALK')-5 receptor, methods for their preparation and their use in medicine, specifically in the treatment and prevention of a disease state mediated by this pathway.

  这项发明涉及新型吡唑衍生物，它们是转化生长因子（'TGF'）-β信号通路的抑制剂，特别是通过TGF-β类型I或类活化素激酶（'ALK'）-5受体对smad2或smad3的磷酸化的抑制剂，以及它们的制备方法和在医学上的应用，具体用于治疗和预防由该通路介导的疾病状态。
• An improved and practical procedure for the synthesis of substituted phenylacetylpyridines
  作者：Michel Journet、Dongwei Cai、Robert D. Larsen、Paul J. Reider

  DOI：10.1016/s0040-4039(98)00140-3

  日期：1998.3

  A general procedure for the synthesis of substituted phenylacetylpyridines in excellent yields is described using a Horner-Emmons condensation between α-aminoalkylphosphonates of pyridinecarboxaldehydes and benzaldehydes with cesium carbonate at room temperature.

  在室温下使用吡啶甲醛和苯甲醛的α-氨基烷基膦酸酯与碳酸铯之间的霍纳-埃蒙斯缩合，描述了以优异的产率合成取代的苯基乙酰基吡啶的一般方法。
• NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS
  申请人：Munchhof J. Michael

  公开号：US20070088037A1

  公开（公告）日：2007-04-19

  Novel imidazole compounds, including derivatives thereof, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use are described. The compounds of the present invention are potent inhibitors of transforming growth factor (“TGF”)- signaling pathway. They are useful in the treatment of various TGF-related disease states including, for example, cancer and fibrotic diseases.

  本发明涉及新型咪唑化合物，包括其衍生物、制备中间体、含有它们的制药组合物以及它们的药用。本发明的化合物是转化生长因子（“TGF”）信号通路的有效抑制剂。它们在治疗各种与TGF相关的疾病状态中有用，包括癌症和纤维化疾病。
• NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS
  申请人：Munchhof J. Michael

  公开号：US20070117850A1

  公开（公告）日：2007-05-24

  Novel pyrazole compounds, including derivatives thereof, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use are described. The compounds of the present invention are potent inhibitors of transforming growth factor (“TGF”)- signaling pathway. They are useful in the treatment of various TGF-related disease states including, for example, cancer, and fibrotic diseases.

  本发明涉及新型吡唑化合物，包括其衍生物，以及其制备的中间体，含有它们的制药组合物和它们的药用用途。本发明化合物是转化生长因子（“TGF”）信号通路的有效抑制剂。它们在治疗各种TGF相关疾病状态方面非常有用，包括癌症和纤维化疾病。
• NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS
  申请人：Blumberg Laura C.

  公开号：US20080275235A1

  公开（公告）日：2008-11-06

  Novel fused heteroaromatic compounds, including derivatives thereof, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use are described. The compounds of the present invention are potent inhibitors of transforming growth factor (“TGF”)- signaling pathway. They are useful in the treatment of various TGF-related disease states including, for example, cancer and fibrotic diseases.

  本发明涉及融合的杂环化合物，包括其衍生物，以及制备它们的中间体，含有它们的制药组合物以及它们的药用用途。本发明的化合物是转化生长因子（“TGF”）信号通路的有效抑制剂。它们在治疗各种与TGF相关的疾病状态方面非常有用，包括癌症和纤维化疾病等。