4-(3-Cyanpropyl)-4'-methyl-2,2'-bipyridin | 114527-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(3-Cyanpropyl)-4'-methyl-2,2'-bipyridin
• 英文别名: 4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanenitrile
• CAS: 114527-27-4
• 化学式: C₁₅H₁₅N₃
• 分子量: 237.304
• InChiKey: SAQJIBMQDQDHGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.6±45.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-Cyanpropyl)-4'-methyl-2,2'-bipyridin 在 氢氧化钾 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 11.0h， 生成 4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoyl chloride
  参考文献：
  名称：

  Wasserphotolyse mit Hilfe von funktionellen Tris-(2,2?-bipyridin)ruthenium(II)-Komplexen

  摘要：

  DOI：

  10.1007/bf00810082
• 作为产物：
  描述：

  4,4'-二甲基-2,2'-联吡啶 在 三溴化磷 、 lithium diisopropyl amide 作用下， 以 二甲基亚砜 、 苯 为溶剂， 反应 4.0h， 生成 4-(3-Cyanpropyl)-4'-methyl-2,2'-bipyridin
  参考文献：
  名称：

  Wasserphotolyse mit Hilfe von funktionellen Tris-(2,2?-bipyridin)ruthenium(II)-Komplexen

  摘要：

  DOI：

  10.1007/bf00810082

文献信息

• [EN] CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES<br/>[FR] BIBLIOTHEQUES CHIMIQUES UTILES AUX PROCEDES DE DECOUVERTES DE MEDICAMENTS
  申请人：7TM PHARMA AS

  公开号：WO2003003008A1

  公开（公告）日：2003-01-09

  Use of chemical compounds or selections of chemical compounds (libraries) of the general formula (I): for in vivo methods for testing or validating the physiological importance and/or the therapeutic or pharmacological potential of biological target molecules, notably proteins such as, e.g., receptors and especially 7TM receptors in test animals expressing the biological target molecule with, notably, a silent, engineered metal-ion site. Use of specific metal-ion binding sites of a generic nature in specific biological target molecules such as, e.g. transmembrane proteins wherein the metal-ion binding site is capable of forming a complex with a metal ion is also described. Chemical compounds or libraries suitable for use in methods for improving the in vivo pharmacokinetic behaviour of metal-ion chelates (e.g. the absorption pattern, the plasma half-life, the distribution, the metabolism and/or the elimination of the metal-ion chelates). In order to improve the efficacy of the metal-ion chelates impact on the biological target molecule after administration of the metal-ion chelate in vivo to a test animal it is advantageous e.g. to increase the time period during which the metal-ion chelate is in the circulatory system and/or localised at the target. Metal-ion chelating compounds, which are designed to be suitable for use in a target validation process according to the invention and to libraries of at least two or more of such metal-ion chelating compounds are disclosed.
• [EN] USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS<br/>[FR] UTILISATION DE CHELATES A IONS METALLIQUES DANS LA VALIDATION DE MOLECULES BIOLOGIQUES UTILISEES COMME CIBLES MEDICAMENTEUSES DANS DES MODELES ANIMAUX EXPERIMENTAUX
  申请人：7TM PHARMA AS

  公开号：WO2003003009A1

  公开（公告）日：2003-01-09

  Use of chemical compounds or selections of chemical compounds (libraries) of the general Formula (I): for in vivo methods for testing or validating the physiological importance and/or the therapeutic or pharmacological potential of biological target molecules, notably proteins such as, e.g., receptors and especially 7TM receptors in test animals expressing the biological target molecule with, notably, a silent, engineered metal-ion site. Use of specific metal-ion binding sites of a generic nature in specific biological target molecules such as, e.g. transmembrane proteins wherein the metal-ion binding site is capable of forming a complex with a metal ion is also described. Chemical compounds or libraries suitable for use in methods for improving the in vivo pharmacokinetic behaviour of metal-ion chelates (e.g. the absorption pattern, the plasma half-life, the distribution, the metabolism and/or the elimination of the metal-ion chelates). In order to improve the efficacy of the metal-ion chelates impact on the biological target molecule after administration of the metal-ion chelate in vivo to a test animal it is advantageous e.g. to increase the time period during which the metal-ion chelate is in the circulatory system and/or localised at the target. Metal-ion chelating compounds, which are designed to be suitable for use in a target validation process according to the invention and to libraries of at least two or more of such metal-ion chelating compounds are disclosed.
• [EN] METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR<br/>[FR] METHODE DE TRAITEMENT DE TROUBLES LIES AU RECEPTEUR DE LA MELANOCORTINE (MC), FAISANT INTERVENIR UN CHELATE ET/OU UN CHELATEUR
  申请人：7TM PHARMA AS

  公开号：WO2003055477A1

  公开（公告）日：2003-07-10

  The present invention relates to a method for reducing overweight and/or treating and/or preventing overweight, obesity and/or complications to obesity (e.g. diabetes type 2, hypertension, hypercholesterolemia, hypertriglyceridemia, cardiovascular diseases and/or orarthritic diseases). The method comprises administering to an animal such as, e.g. a human and/or domestic animal need thereof an effective amount of a chelate and/or a chelator which is capable of binding or otherwise interacting with a natural metal-ion binding site in an MC receptor (melanocortin receptor) from an MC-R family. The invention also relates to methods for treating and/or preventing diabetes mellitus type II ,conditions involving the immune system, inflammation, male or female sexual dysfunctions including erectile dysfunction, anorexia and other appetite disorders, steroidal disorders and perspiration disorders. Furthermore, the invention relates to a cosmetic method for reducing overweight, to the use of a chelate and/or a chelator for the preparation of a pharmaceutical composition and to the use of a chelate and/or chelator as a lead compound in a drug discovery process for identifying ligands that ineract with an MC receptor. The example compounds of the invention are heterocyclic compounds, e.g. bipyridine derivatives.
• Wasserphotolyse mit Hilfe von funktionellen Tris-(2,2?-bipyridin)ruthenium(II)-Komplexen
  作者：W. Nu�baumer、H. Gruber、G. F. Greber

  DOI：10.1007/bf00810082

  日期：1988.1