N-(3-nitrophenyl)-4-(pyridin-4-yl)-2-pyrimidine-amine | 152459-85-3

• 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: N-(3-nitrophenyl)-4-(pyridin-4-yl)-2-pyrimidine-amine
• 英文别名: N-(3-nitrophenyl)-4-(pyridin-4-yl)pyrimidin-2-amine；(3-Nitrophenyl)-(4-pyridin-4-yl-pyrimidin-2-yl)-amine；(3-Nitro-phenyl)-(4-pyridin-4-yl-pyrimidin-2-yl)-amine；N-(3-nitrophenyl)-4-(4-pyridyl)-2-pyrimidine-amine；N-(3-nitrophenyl)-4-pyridin-4-ylpyrimidin-2-amine
• CAS: 152459-85-3
• 化学式: C₁₅H₁₁N₅O₂
• 分子量: 293.285
• InChiKey: WLGHWBDELZLKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(3-nitrophenyl)-4-(pyridin-4-yl)-2-pyrimidine-amine 生成 N-(3-aminophenyl)-4-(pyridin-4-yl)-2-pyrimidine-amine
  参考文献：
  名称：

  Pyrimidine derivatives and processes for the preparation thereof

  摘要：

  描述了公式I的N-苯基-2-吡啶胺衍生物，其中R.sub.1为4-吡嗪基，1-甲基-1H-吡咯基，氨基或氨基-较低烷基取代的苯基，其中每种情况下的氨基团是自由的、烷基化的或酰化的，1H-吲哚基或1H-咪唑基与五元环碳原子结合，或未取代或较低烷基取代的吡啶基与环碳原子结合，并在氮原子处未取代或取代为氧，R.sup.2，R.sup.3，R.sup.9，X，Y，n和R.sup.10在权利要求1中定义。这些化合物可以用于例如治疗肿瘤性疾病。

  公开号：

  US05521184A1
• 作为产物：
  描述：

  4-乙酰吡啶 以 异丙醇 为溶剂， 生成 N-(3-nitrophenyl)-4-(pyridin-4-yl)-2-pyrimidine-amine
  参考文献：
  名称：

  Potent and selective inhibitors of the Abl-kinase: phenylamino-pyrimidine (PAP) derivatives

  摘要：

  Due to its relatively clear etiology, Chronic myelogenous leukemia (CML) represents an ideal disease target for a therapy using a selective inhibitor of the Bcr-Abl tyrosine protein kinase. Extensive optimization of the class of phenylamino-pyrimidines yielded highly potent and selective Bcr-Abl kinase inhibitors. Compound 1 shows high potency (IC50 = 38 nM) and selectivity for the Abl tyrosine protein kinase at the in vitro level. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00601-4

文献信息

• Pyrimidine derivatives and processes for the preparation thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05521184A1

  公开（公告）日：1996-05-28

  There are described N-phenyl-2-pyrimidine-amine derivatives of formula I ##STR1## wherein R.sub.1 is 4-pyrazinyl, 1-methyl-1H-pyrrolyl, amino- or amino-lower alkyl-substituted phenyl wherein the amino group in each case is free, alkylated or acylated, 1H-indolyl or 1H-imidazolyl bonded at a five-membered ring carbon atom, or unsubstituted or lower alkyl-substituted pyridyl bonded at a ring carbon atom and unsubstituted or substituted at the nitrogen atom by oxygen, R.sup.2, R.sup.3, R.sup.9, X, Y, n and R.sup.10 are defined in claim 1 These compounds can be used, for example, in the therapy of tumoral diseases.

  描述了公式I的N-苯基-2-吡啶胺衍生物，其中R.sub.1为4-吡嗪基，1-甲基-1H-吡咯基，氨基或氨基-较低烷基取代的苯基，其中每种情况下的氨基团是自由的、烷基化的或酰化的，1H-吲哚基或1H-咪唑基与五元环碳原子结合，或未取代或较低烷基取代的吡啶基与环碳原子结合，并在氮原子处未取代或取代为氧，R.sup.2，R.sup.3，R.sup.9，X，Y，n和R.sup.10在权利要求1中定义。这些化合物可以用于例如治疗肿瘤性疾病。
• Pyrimidine Derivatives
  申请人：Klebl Bert

  公开号：US20080187575A1

  公开（公告）日：2008-08-07

  The present invention relates to pyrimidine derivatives, methods for their synthesis, and the use of said pyrimidine derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferation disorders, cancer, leukemia, erectile dysfunction, cardiovascular diseases and disorders, inflammatory diseases, transplant rejection, immunological diseases, neuroimmunological diseases, autoimmune diseases, infective diseases including opportunistic infections, prion diseases and/or neuro-degeneration. Furthermore, the present invention relates to pharmaceutical compositions containing at least one pyrimidine derivative and/or pharmaceutically acceptable salts thereof as an active ingredient together with at least one pharmaceutically acceptable carrier, excipient or diluents as well as to methods for prophylaxis and/or treatment of the above-mentioned diseases and disorders.

  本发明涉及嘧啶衍生物，其合成方法，以及所述嘧啶衍生物作为药用活性剂的用途，特别是用于预防和/或治疗细胞增殖紊乱、癌症、白血病、勃起功能障碍、心血管疾病和紊乱、炎症性疾病、移植排斥、免疫性疾病、神经免疫性疾病、自身免疫性疾病、感染性疾病包括机会性感染、朊病和/或神经退行性疾病。此外，本发明涉及含有至少一种嘧啶衍生物和/或其药用可接受盐作为活性成分的药物组合物，以及用于预防和/或治疗上述疾病和紊乱的方法。
• Phenylamino-Pyrimidine (PAP) Derivatives: A New Class of Potent and Selective Inhibitors of Protein Kinase C (PKC)
  作者：Jürg Zimmermann、Giorgio Caravatti、Helmut Mett、Thomas Meyer、Marcel Müller、Nicholas B. Lydon、Doriano Fabbro

  DOI：10.1002/ardp.19963290707

  日期：——

  Phenylamino‐pyrimidines represent a novel class of inhibitors of the protein kinase C with a high degree of selectivity versus other serine/threonine and tyrosine kinases. Steady state kinetic analysis of N‐(3‐[1‐imidazolyl]‐phenyl)‐4‐(3‐pyridyl)‐2‐pyrimidinamine (5), which showed potent inhibitory activity, revealed competitive kinetics relative to ATP. The adjacent H‐bond acceptor of the pyrimidine

  苯氨基嘧啶是一类新型的蛋白激酶 C 抑制剂，与其他丝氨酸/苏氨酸和酪氨酸激酶相比具有高度选择性。N-(3-[1-咪唑基]-苯基)-4-(3-吡啶基)-2-嘧啶胺(5)的稳态动力学分析显示出有效的抑制活性，揭示了相对于ATP的竞争动力学。发现与苯胺的 H 键供体相邻的嘧啶部分的相邻 H 键受体对抑制活性至关重要。N-(3-Nitro-phenyl)-4-(3-pyridyl)-2-pyrimidinamine (7) 优先抑制 PKC-α (IC50 = 0.79 μM) 而不是其他测试的亚型。PKC-α 的抑制常数与对 T24 人膀胱癌细胞的抗增殖作用呈定性相关，但也有一些例外。
• Pyridylpyrimidine derivatives as effective compounds against prion diseases
  申请人：——

  公开号：US20030176443A1

  公开（公告）日：2003-09-18

  The present invention relates to pyridylpyrimidine derivatives of the general formula (I): 1 wherein R represents hydrogen or methyl and Z represents nitrogen containing functional groups, the use of the pyridylpyrimidine derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of prion infections and prion diseases, as well as compositions containing at least one pyridylpyrimidine derivative and/or pharmaceutically acceptable salt thereof. Furthermore, the present invention is directed to methods for preventing and/or treating prion infections and prion diseases using said pyridylpyrimidine derivatives. Human cellular protein kinases, phosphatases and cellular signal transduction molecules are disclosed as targets for detecting, preventing and/or treating prion infections and diseases, especially BSE, vCJD, or CJD which can be inhibited by the inventive pyridylpyrimidine derivatives.

  本发明涉及一般式（I）的吡啶基嘧啶衍生物，其中R代表氢或甲基，Z代表含氮的功能基团，该吡啶基嘧啶衍生物作为药物活性剂的使用，特别是用于预防和/或治疗朊病毒感染和朊病，以及含有至少一种吡啶基嘧啶衍生物和/或其药学可接受的盐的组合物。此外，本发明还涉及使用所述吡啶基嘧啶衍生物预防和/或治疗朊病毒感染和朊病的方法。人类细胞蛋白激酶、磷酸酶和细胞信号转导分子被揭示为检测、预防和/或治疗朊病毒感染和疾病的靶点，特别是BSE、vCJD或CJD，这些疾病可以被本发明的吡啶基嘧啶衍生物抑制。
• Organic Compounds
  申请人：Cooke Nigel Graham

  公开号：US20090156602A1

  公开（公告）日：2009-06-18

  The invention provides a pharmaceutical combination comprising: a) at least one agent selected from Bcr-Abl, Flt-3, FAK and RAF kinase inhibitors; and b) at least one JAK kinase inhibitor and a method for treating or preventing a proliferative disease using such a combination.

  本发明提供了一种药物组合物，包括：a) 至少一种选自Bcr-Abl、Flt-3、FAK和RAF激酶抑制剂的药物；以及b) 至少一种JAK激酶抑制剂，以及使用该组合物治疗或预防增生性疾病的方法。