N'-(3-吡啶-2-基异喹啉-1-基)吡啶-2-甲脒 | 118112-10-0

• 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
• 中文名称: N'-(3-吡啶-2-基异喹啉-1-基)吡啶-2-甲脒
• 中文别名: N-[(1Z)-3-(吡啶-2-基)异喹啉-1(8aH)-亚基]吡啶-2-碳杂氧杂脒
• 英文名称: N-<3-(2-pyridyl)isoquinolin-1-yl>-2-pyridinecarboxamidine
• 英文别名: N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
• CAS: 118112-10-0
• 化学式: C₂₀H₁₅N₅
• 分子量: 325.373
• InChiKey: VZJMIYLTPATHJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氰基吡啶 、 1-amino-3-(2-pyridinyl)isoquinoline 在 正丁基锂 作用下， 生成 N'-(3-吡啶-2-基异喹啉-1-基)吡啶-2-甲脒
  参考文献：
  名称：

  1-氨基-3-（2-吡啶基）异喹啉衍生物的合成和铜依赖性抗支原体活性。2. Am。

  摘要：

  在我们寻找具有抗支原体活性的新化合物的过程中，合成了一系列衍生自1-氨基-3-（2-吡啶基）异喹啉（1）的芳族s。在40 microM铜的存在下，最具活性的化合物在纳摩尔范围内显示出对鸡毒支原体的生长抑制。这些化合物的活性是泰乐菌素的3倍，泰乐菌素是兽医实践中使用的抗支原体治疗剂。在铜的存在下，衍生自1的am的活性是相应酰胺的2-3倍。此外，已经确定对于这些化合物而言，存在2,2'-联吡啶基部分是抗支原体活性的必要先决条件。至于酰胺，衍生自1的am的抗支原体活性取决于the部分的芳香核的疏水片段值。

  DOI：

  10.1021/jm00122a033

文献信息

• Quinazoline and isoquinoline derivatives
  申请人：AKZO N.V.

  公开号：EP0135975A2

  公开（公告）日：1985-04-03

  The invention relates to novel quinazoline and isoquinoline derivatives of the general formula: and acid addition salts and copper complexes thereof, wherein X represents nitrogen or a CH group, Y represents oxygen or an NH group, R, and R2 represent hydrogen, alkyl (1-6 C), alkoxy (1-6 C), halogen or trifluoromethyl, R3 represents a substituted or unsubstituted 2-pyridyl group and R4 represents hydrogen, an alkyl (1-6 C) group unsubstituted or substituted by halogen, alkoxy (1-6 C) or phenyl groups, a cyclic alkyl group or a substituted or unsubstituted aromatic group.

  本发明涉及通式如下的新型喹唑啉和异喹啉衍生物： 及其酸加成盐和铜络合物，其中 X代表氮或CH基团 Y 代表氧或 NH 基团 R和R2代表氢、烷基（1-6 C）、烷氧基（1-6 C）、卤素或三氟甲基、 R3 代表取代或未取代的 2-吡啶基，以及 R4 代表氢、未取代或被卤素、烷氧基 (1-6 C) 或苯基取代的烷基 (1-6 C)、环状烷基或取代或未取代的芳基。
• NOVEL METHODS FOR RAPID DRUG SUSCEPTIBILITY TESTING AND DRUG SCREENS FOR GROWING AND NON-GROWING CELLS OF PROKARYOTIC AND EUKARYOTIC ORIGIN
  申请人：Zhang, Ying

  公开号：EP3321371A1

  公开（公告）日：2018-05-16

  The presently disclosed subject matter provides methods, compositions, and kits for extremely rapid assessment of drug susceptibility of growing as well as non-growing cells of prokaryotic and also eukaryotic origins, without the need for organism growth, which is in contrast to the current growth-dependent methods.This growth-independent new methodology achieves extremely rapid drug susceptibility testing results previously not possible. Methods for rapidly identifying compounds with inhibitory activity against both growing and non-growing cells in real-time continuous manner with previously unachievable efficiency in drug screens using the novel methodology are also provided. Cell cultures are incubated with a drug or test agent and with a staining mixture containing a first fluorescent dye indicative the emission of which is indicative of live cells (e.g. SYBR Green I) and a second fluorescent dye indicative emitting a different color, the emission of which is indicative of dead cells (e.g. Propidium iodide). The ratio of the intensities of the emitted fluorescence of the dyes is indicative of the percentage live and dead cells in the culture.

  与目前依赖生长的方法相比，本公开的主题提供了无需生物体生长即可对原核和真核的生长和非生长细胞的药物敏感性进行极快速评估的方法、组合物和试剂盒，这种不依赖生长的新方法实现了以前无法实现的极快速药物敏感性测试结果。此外，还提供了实时连续地快速鉴定对生长细胞和非生长细胞具有抑制活性的化合物的方法，这种方法在使用新方法进行药物筛选时具有以前无法实现的效率。细胞培养物与药物或测试剂以及染色混合物一起孵育，染色混合物含有第一种荧光染料指示剂，其发射的荧光指示剂可指示活细胞（如 SYBR 绿 I）和第二种发出不同颜色的荧光染料指示剂，其发射的荧光指示剂可指示死细胞（如碘化丙啶）。染料发射荧光强度的比值表示培养液中活细胞和死细胞的百分比。
• IDENTIFICATION OF NOVEL ANTI-PERSISTER ACTIVITY FOR BORRELIA BURGDORFERI
  申请人：The Johns Hopkins University

  公开号：EP3149190A1

  公开（公告）日：2017-04-05
• COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION
  申请人：Augusta University Research Institute, Inc.

  公开号：EP3548022A1

  公开（公告）日：2019-10-09
• NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA
  申请人：ZHANG YING

  公开号：US20170058314A1

  公开（公告）日：2017-03-02

  The presently disclosed subject matter provides methods, compositions, and kits for assessing the viability of bacteria from a selected genus, assessing the antibiotic susceptibility of bacteria from the selected genus, and identifying compounds with anti-persister activity for bacteria from the selected genus. The bacteria include, but are not limited to, Borrelia burgdorferi, Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumanii , and Mycobacterium tuberculosis . Compositions include compounds with high activity against Borrelia persisters and their combinations with current Lyme antibiotics for more effect treatment of Lyme disease. Methods for inhibiting the growth and/or survival of bacteria from the Borrelia genus and for treating Lyme disease using appropriate drug combinations in a subject are also provided.