4-[(3-硝基吡啶-4-基)氨基]哌啶-1-羧酸乙酯 | 183283-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-[(3-硝基吡啶-4-基)氨基]哌啶-1-羧酸乙酯
• 英文名称: Ethyl 4-[(3-nitropyridin-4-yl)amino]piperidine-1-carboxylate
• CAS: 183283-21-8
• 化学式: C₁₃H₁₈N₄O₄
• 分子量: 294.31
• InChiKey: IDZHJCGQMQRDBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(3-硝基吡啶-4-基)氨基]哌啶-1-羧酸乙酯 在 盐酸 、 sodium hydroxide 、 锌 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 1-(piperidin-4-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
  参考文献：
  名称：

  Benzodiazepine calcitonin gene-related peptide (CGRP) receptor antagonists: Optimization of the 4-substituted piperidine

  摘要：

  In our continuing effort to identify CGRP receptor antagonists for the acute treatment of migraine, we have undertaken a study to evaluate alternative 4-substituted piperidines to the lead dihydroquinazolinone 1. In this regard, we have identified the piperidinyl-azabenzimidazolone and phenylimidazolinone structures which, when incorporated into the benzodiazepine core, afford potent CGRP receptor antagonists (e.g., 18 and 29). These studies produced a potent analog (18) which overcomes the instability issues associated with the lead structure 1. A general pharmacophore for the 4-substituted piperidine component of these CGRP receptor antagonists is also presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.044
• 作为产物：
  描述：

  ethyl 4-(pyridin-4-ylamino)piperidine-1-carboxylate 在 硫酸 、 硝酸 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 1.5h， 以71%的产率得到4-[(3-硝基吡啶-4-基)氨基]哌啶-1-羧酸乙酯
  参考文献：
  名称：

  [EN] CGRP RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RECEPTEURS CGRP

  摘要：

  公开号：

  WO2004092166A3

文献信息

• CHEMICAL COMPOUNDS
  申请人：Barber Christopher Gordon

  公开号：US20090209578A1

  公开（公告）日：2009-08-20

  The present invention provides compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , Het and m are as defined in the description. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors.

  本发明提供式(I)化合物，其中R1、R2、R3、R4、Het和m如说明书中所定义。本发明的化合物是趋化因子CCR5受体活性的调节剂，特别是拮抗剂。
• Methods for detecting nucleic acid variations
  申请人：Delgrosso Kathleen

  公开号：US20070111204A1

  公开（公告）日：2007-05-17

  The invention provides methods and diagnostic test kits for detecting target nucleic acid sequence variations in a sample. In particular, a plurality of oligonucleotide probe sets is provided. Each set has a target specific portion and a barcode. The target specific portions of the probes are suitable for ligation together when hybridized adjacent to one another on a corresponding target polynucleotide. The ligated product contains a barcode that binds to a probe attached to a substrate and hence facilitate the capture of the ligated product on the solid support. Detection is carried out with a gold nanoparticle-attached barcode that hybridizes with the barcode on the ligated product.

  该发明提供了一种用于检测样本中目标核酸序列变异的方法和诊断试剂盒。具体来说，提供了多个寡核苷酸探针组。每个组具有一个目标特异部分和一个条形码。当探针的目标特异部分在相应的目标多核苷酸上相邻杂交时，这些探针的目标特异部分适合进行连接。连接的产物包含一个与基质上附着的探针结合的条形码，从而有助于在固体支持上捕获连接的产物。检测是通过与连接的产物上的条形码杂交的金纳米颗粒附着的条形码进行的。
• Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet
  申请人：Abbott Laboratories

  公开号：US05567711A1

  公开（公告）日：1996-10-22

  The present invention provides compounds of formula ##STR1## and the pharmaceutically acceptable salts thereof which are potent antagonists of PAF and are useful in the treatment of PAF-related disorders including asthma, shock, respiratory distress syndrome, acute inflammation, transplanted organ rejection, gastrointestinal ulceration, allergic skin diseases, delayed cellular immunity, parturition, fetal lung maturation, and cellular differentiation.

  本发明提供了公式##STR1##的化合物及其药学上可接受的盐，它们是PAF的强效拮抗剂，并可用于治疗与PAF相关的疾病，包括哮喘，休克，呼吸窘迫综合症，急性炎症，移植器官排斥，胃肠溃疡，过敏性皮肤病，延迟细胞免疫，分娩，胎儿肺成熟和细胞分化。
• Discovery and Evaluation of a Series of 3-Acylindole Imidazopyridine Platelet-Activating Factor Antagonists
  作者：Michael L. Curtin、Steven K. Davidsen、H. Robin Heyman、Robert B. Garland、George S. Sheppard、Alan S. Florjancic、Lianhong Xu、George M. Carrera、Douglas H. Steinman、Jeff A. Trautmann、Daniel H. Albert、Terrance J. Magoc、Paul Tapang、David A. Rhein、Richard G. Conway、Gongjin Luo、Jon F. Denissen、Kennan C. Marsh、Douglas W. Morgan、James B. Summers

  DOI：10.1021/jm970389+

  日期：1998.1.1

  Studies conducted with the goal of discovering a second-generation platelet-activating factor (PAF) antagonist have identified a novel class of potent and orally active antagonists which have high aqueous solubility and long duration of action in animal models. The compounds arose from the combination of the lipophilic indole portion of Abbott's first-generation PAF antagonist ABT-299 (2) with the methylimidazopyridine heterocycle moiety of British Biotechnology's BB-882 (1) and possess the positive attributes of both of these clinical candidates. Structure-activity relationship (SAR) studies indicated that modification of the indole and benzoyl spacer of lead compound 7b gave analogues that were more potent, longer-lived, and bioavailable and resulted in the identification of 1-(N,N-dimethylcarbamoyl)-4-ethynyl-3-(3-fluoro-4-[(1H-2-methylimidazo[4,5-c]pyrid-1-yl)methyl] benzoyl}indole hydrochloride (ABT-491, 22m.HCl) which has been evaluated extensively and is currently in clinical development.
• INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS
  申请人：ABBOTT LABORATORIES

  公开号：EP0821685B1

  公开（公告）日：2001-10-04