2,2-Diphenyl-5-chlor-pentannitril | 1585-11-1

• 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: 2,2-Diphenyl-5-chlor-pentannitril
• 英文别名: 5-Chloro-2,2-diphenylpentanenitrile
• CAS: 1585-11-1
• 化学式: C₁₇H₁₆ClN
• 分子量: 269.774
• InChiKey: FVQDPIBHRIMTMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-Diphenyl-5-chlor-pentannitril 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-diphenyl-adipic acid dimethyl ester
  参考文献：
  名称：

  2,2-二苯甲基环戊酮的一些反应和衍生物。

  摘要：

  DOI：

  10.1021/jm00341a010
• 作为产物：
  描述：

  二苯乙腈 、 1,3-二氯丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-Diphenyl-5-chlor-pentannitril
  参考文献：
  名称：

  Compounds useful for inhibiting metastasis from cancer and methods using same

  摘要：

  本发明包括用于预防或治疗诊断出患有癌症的受试者的转移的组合物。本发明还包括用于预防或治疗诊断出患有癌症的受试者的转移的方法，其中该方法包括向需要该药物的受试者施用包含至少一种药学上可接受的载体和至少一种CX3CR1或Fractalkine拮抗剂的药物制剂的有效量。

  公开号：

  US09375474B2

文献信息

• Methods of Inhibiting Metastasis from Cancer
  申请人：Salvino Joseph M.

  公开号：US20120141471A1

  公开（公告）日：2012-06-07

  The present invention includes compositions that are useful in preventing or treating metastasis in a subject diagnosed with cancer. The present invention also includes methods of preventing or treating metastasis in a subject diagnosed with cancer, wherein the method comprises administering to the subject in need thereof an effective amount of a pharmaceutical formulation comprising at least one pharmaceutically acceptable carrier and at least one CX 3 CR1 or fractalkine antagonist.

  本发明涉及一种用于预防或治疗被诊断为癌症的患者中的转移的组合物。本发明还包括一种用于预防或治疗被诊断为癌症的患者中的转移的方法，其中该方法包括向需要该药物的患者投与至少一种药用制剂，该制剂包括至少一种药用载体和至少一种CX3CR1或fractalkine拮抗剂的有效量。
• Process for the preparation of tertiary amines
  申请人：G. D. Searle & Co.

  公开号：US04086234A1

  公开（公告）日：1978-04-25

  Certain tertiary amines useful as pharmaceuticals are prepared in improved yields by condensing a cyclic secondary amine with a primary alkyl halide in an aqueous medium in the presence of an acid acceptor.

  某些有用的药物三级胺可以通过在酸性接受剂存在下，在水介质中将环状二级胺与一级烷基卤化物缩合，从而获得更高的收率。
• Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same
  申请人：Drexel University College of Medicine Philadelphia Health & Education Corporation d/b/a

  公开号：US20130156761A1

  公开（公告）日：2013-06-20

  The present invention includes compositions that are useful in preventing or treating metastasis in a subject diagnosed with cancer. The present invention also includes methods of preventing or treating metastasis in a subject diagnosed with cancer, wherein the method comprises administering to the subject in need thereof an effective amount of a pharmaceutical formulation comprising at least one pharmaceutically acceptable carrier and at least one CX 3 CR1 or fractalkine antagonist.

  本发明涉及一种对已被诊断患有癌症的受试者预防或治疗转移的有用组合物。本发明还涉及一种预防或治疗已被诊断患有癌症的受试者的转移的方法，其中该方法包括向需要该药物的受试者施用至少一种药物制剂，该药物制剂包括至少一种药用载体和至少一种CX3CR1或fractalkine拮抗剂的有效量。
• Synthesis and pharmacological characterization of novel inverse agonists acting on the viral-encoded chemokine receptor US28
  作者：Janneke W. Hulshof、Henry F. Vischer、Mark H.P. Verheij、Silvina A. Fratantoni、Martine J. Smit、Iwan J.P. de Esch、Rob Leurs

  DOI：10.1016/j.bmc.2006.06.054

  日期：2006.11

  G-protein coupled receptors encoded by viruses represent an unexplored class of potential drug targets. In this study, we describe the synthesis and pharmacological characterization of the first class of inverse agonists acting on the HCMV-encoded receptor US28. It is shown that replacement of the 4-hydroxy group of lead compound I with a methylamine group results in a significant 6-fold increase in affinity. Interestingly, increasing the rigidity of the spacer by the introduction of a double bond also leads to a significant increase in binding affinity compared to 1. These novel inverse agonists serve as valuable tools to elucidate the role of constitutive signaling in the pathogenesis of viral infection and may have therapeutic potential as leads for new antiviral drugs. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis and Structure−Activity Relationship of the First Nonpeptidergic Inverse Agonists for the Human Cytomegalovirus Encoded Chemokine Receptor US28
  作者：Janneke W. Hulshof、Paola Casarosa、Wiro M. P. B. Menge、Leena M. S. Kuusisto、Henk van der Goot、Martine J. Smit、Iwan J. P. de Esch、Rob Leurs

  DOI：10.1021/jm050418d

  日期：2005.10.1

  US28 is a human cytomegalovirus (HCMV) encoded G-protein-coupled receptor that signals in a constitutively active manner. Recently, we identified 1 5-(4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl)-2,2-diphenylpentanenitrile} as the first reported nonpeptidergic inverse agonist for a viral-encoded chemokine receptor. Interestingly, this compound is able to partially inhibit the viral entry of HIV-1. In this study we describe the synthesis of 1 and several of its analogues and unique structure-activity relationships for this first class of small-molecule ligands for the chemokine receptor US28. Moreover, the compounds have been pharmacologically characterized as inverse agonists on US28. By modification of lead structure 1, it is shown that a 4-phenylpiperidine moiety is essential for affinity and activity. Other structural features of 1 are shown to be of less importance. These compounds define the first SAR of ligands on a viral GPCR (US28) and may therefore serve as important tools to investigate the significance of US28-mediated constitutive activity during viral infection.