4-(3-aminopropyl)-4'-methyl-2,2'-bipyridine | 219557-36-5

• 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-aminopropyl)-4'-methyl-2,2'-bipyridine
• 英文别名: 3-[2-(4-Methylpyridin-2-yl)pyridin-4-yl]propan-1-amine
• CAS: 219557-36-5
• 化学式: C₁₄H₁₇N₃
• 分子量: 227.309
• InChiKey: XUNOQFNPODQUCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  盐酸 、 氯化铑(三水) 、 9,10-二氨基菲 、 4-(3-aminopropyl)-4'-methyl-2,2'-bipyridine 在 air 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 bis(4-(3-aminopropyl)-4'-methyl-2,2'-bipyridine)(phenanthrenequinone diimine)rhodium(III) pentachloride 、 bis(4-(3-aminopropyl)-4'-methyl-2,2'-bipyridine)(phenanthrenequinone diimine)rhodium(III) pentachloride 、 bis(4-(3-aminopropyl)-4'-methyl-2,2'-bipyridine)(phenanthrenequinone diimine)rhodium(III) pentachloride
  参考文献：
  名称：

  用于DNA识别的功能化铑嵌入剂。

  摘要：

  已经制备了一系列含有菲醌二亚胺（phi）配体的铑配合物，它们通过嵌入结合DNA，并在光激活时促进DNA链断裂。在这个系列中，辅助的，非嵌入的联吡啶或菲咯啉配体已被官能化，以生成含有胍基，酰胺基或氨基的配合物，这些配合物具有确定的立体化学排列，可与DNA碱基进行位点特异性相互作用。Lambda-1- [Rh（MGP）（2）phi（5+）（MGP = 4-（胍基甲基）-1,10-菲咯啉）位点特异性靶向6个碱基对的序列5'-CATATG-3'结合亲和力为1（+/- 0.5）x 10（8）M（-）（1），而Delta-1- [Rh（MGP）（2）phi]（5+）的亲和力为5（+ / -2）x 10（7）M（-）（1）用于5'-CATCTG-3'。即使这两个异构体的目标位点仅相差一个碱基，结合是高度对映选择性的。特异性主要源自悬垂胍基团与DNA碱基的相互作用。对于1- [Rh（GEB）（2）phi]（5+）（GEB

  DOI：

  10.1021/ic980837j

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] 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.
• Functionalized Rhodium Intercalators for DNA Recognition
  作者：Robert H. Terbrueggen、Timothy W. Johann、Jacqueline K. Barton

  DOI：10.1021/ic980837j

  日期：1998.12.1

  toward the DNA (above and below the phi ligand) compared to the 2-isomer, in which the guanidinium groups are directed away from the DNA. In contrast to Lambda-1-[Rh(MGP)(2)phi](5+), Lambda-1-[Rh(GEB)(2)phi](5+) shows little cleavage at 5'-CATATG-3'; this sensitivity to linker length likely depends on the mode of recognition of 5'-CATATG-3' involving sequence-dependent unwinding of the DNA site. Analogous

  已经制备了一系列含有菲醌二亚胺（phi）配体的铑配合物，它们通过嵌入结合DNA，并在光激活时促进DNA链断裂。在这个系列中，辅助的，非嵌入的联吡啶或菲咯啉配体已被官能化，以生成含有胍基，酰胺基或氨基的配合物，这些配合物具有确定的立体化学排列，可与DNA碱基进行位点特异性相互作用。Lambda-1- [Rh（MGP）（2）phi（5+）（MGP = 4-（胍基甲基）-1,10-菲咯啉）位点特异性靶向6个碱基对的序列5'-CATATG-3'结合亲和力为1（+/- 0.5）x 10（8）M（-）（1），而Delta-1- [Rh（MGP）（2）phi]（5+）的亲和力为5（+ / -2）x 10（7）M（-）（1）用于5'-CATCTG-3'。即使这两个异构体的目标位点仅相差一个碱基，结合是高度对映选择性的。特异性主要源自悬垂胍基团与DNA碱基的相互作用。对于1- [Rh（GEB）（2）phi]（5+）（GEB