N,N-二异丙基异烟酰胺 | 77924-05-1

• 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,N-二异丙基异烟酰胺
• 中文别名: 2-羟基-4-甲基-8-甲氧基喹啉
• 英文名称: N,N-diisopropylisonicotinamide
• 英文别名: N,N-di(propan-2-yl)pyridine-4-carboxamide
• CAS: 77924-05-1
• 化学式: C₁₂H₁₈N₂O
• mdl: MFCD00085693
• 分子量: 206.288
• InChiKey: HLRSGDOBQLTYNO-UHFFFAOYSA-N

物化性质

• 沸点：
  327.8±15.0 °C(Predicted)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  N,N-二异丙基异烟酰胺 在 氢氧化钾 、 一水合肼 、 lithium diisopropyl amide 作用下， 以 二乙二醇 为溶剂， 反应 8.75h， 生成 4-phenyl-2-propan-2-ylpyrido[3,4-d]pyridazin-1-one
  参考文献：
  名称：

  Application of organolithium and related reagents in synthesis, Part XII. Synthesis of phenyl- and pyridylpyridopyridazinones and their derivatives

  摘要：

  The preparation of the pyridazinones 10a, 10b, 11a, 11b, and 12a, 12b from the ketoamides 7,8, and 9 and hydrazine hydrate is described. It was found that from ketoamides 8b and 9b in addition to the expected pyridopyridazinones 11b and 12b also aminopyridopyridazines 14 and 15 were formed and that ketoamide 7b gave exclusively aminopyridopyridazine 13. The pyridopyridazinones 10b, 11b, and 12b were alkylated with alkyl iodides.

  DOI：

  10.1007/bf00819523
• 作为产物：
  描述：

  异烟酸酰氯 、 二异丙胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N,N-二异丙基异烟酰胺
  参考文献：
  名称：

  The discovery of tricyclic pyridone JAK2 inhibitors. Part 1: Hit to lead

  摘要：

  This paper describes the discovery and design of a novel class of JAK2 inhibitors. Furthermore, we detail the optimization of a screening hit using ligand binding efficiency and log D. These efforts led to the identification of compound 41, which demonstrates in vivo activity in our study. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.031

文献信息

• [EN] COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS<br/>[FR] COMPOSITION ET MÉTHODE POUR DES ANTAGONISTES DES RÉCEPTEURS DE NEUROPEPTIDE (NPSR)
  申请人：RES TRIANGLE INST

  公开号：WO2013086200A1

  公开（公告）日：2013-06-13

  Neuropeptide S receptor antagonists are provided that bind in functional assays to neuropeptide S receptors; methods are provided for use of these antagonists in treatment of conditions or disease states that are ameliorated by blocking of the neuropeptide S receptor, including substance abuse and substance abuse relapse; and for use of neuropeptide S receptor antagonists in the manufacture of therapeutics and pro-drugs for therapeutics useful in disease states and conditions sensitive to binding of the neuropeptide S receptor.

  神经肽S受体拮抗剂在与神经肽S受体的功能分析中结合；提供了一种使用这些拮抗剂治疗通过阻断神经肽S受体而改善的状况或疾病状态的方法，包括物质滥用和物质滥用复吸；以及使用神经肽S受体拮抗剂在治疗疾病状态和条件中对神经肽S受体结合敏感的药物和前药的制造中的应用。
• Identification of a Novel Neuropeptide S Receptor Antagonist Scaffold Based on the SHA-68 Core
  作者：Allison Zarkin、Rajwana Jahan、Rajendra Uprety、Yanan Zhang、Charles McElhinny、Rodney Snyder、Elaine Gay、Gabriel Jewula、Heather Bool、Stewart D Clark、Scott Runyon

  DOI：10.3390/ph14101024

  日期：——

  Activation of the neuropeptide S receptor (NPSR) system has been shown to produce anxiolytic-like actions, arousal, and enhance memory consolidation, whereas blockade of the NPSR has been shown to reduce relapse to substances of abuse and duration of anesthetics. We report here the discovery of a novel core scaffold (+) N-benzyl-3-(2-methylpropyl)-1-oxo-3-phenyl-1H,3H,4H,5H,6H,7H-furo[3,4-c]pyridine-5-carboxamide with potent NPSR antagonist activity in vitro. Pharmacokinetic parameters demonstrate that 14b reaches pharmacologically relevant levels in plasma and the brain following intraperitoneal (i.p.) administration, but is cleared rapidly from plasma. Compound 14b was able to block NPS (0.3 nmol)-stimulated locomotor activity in C57/Bl6 mice at 3 mg/kg (i.p.), indicating potent in vivo activity for the structural class. This suggests that 14b can serve as a useful tool for continued mapping of the pharmacological functions of the NPS receptor system.

  激活神经肽S受体（NPSR）系统已被证明可以产生类似抗焦虑的作用、觉醒和提高记忆巩固，而阻断NPSR已被证明可以减少对滥用物质的复吸和麻醉剂的持续时间。我们在这里报告了一个新型核心支架（+）N-苄基-3-(2-甲基丙基)-1-氧代-3-苯基-1H,3H,4H,5H,6H,7H-呋喃[3,4-c]吡啶-5-甲酰胺的发现，该化合物在体外具有强大的NPSR拮抗活性。药代动力学参数表明，14b在腹腔注射（i.p.）后达到药理学相关水平，但会迅速从血浆中清除。化合物14b能够阻断C57/Bl6小鼠中由NPS（0.3纳米摩尔）刺激的移动活动，剂量为3毫克/千克（i.p.），表明该结构类别在体内具有强大的活性。这表明14b可以作为继续映射NPS受体系统药理功能的的有用工具。
• [EN] TETRACYCLIC INHIBITORS OF JANUS KINASES<br/>[FR] INHIBITEURS TETRACYCLIQUES DE JANUS KINASES
  申请人：INCYTE CORP

  公开号：WO2005105814A1

  公开（公告）日：2005-11-10

  The present invention provides compounds that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases and cancer.

  本发明提供了能调节雅努斯激酶活性并且在治疗与雅努斯激酶活性相关的疾病方面有用的化合物，例如免疫相关疾病和癌症。
• [EN] INSECT BEHAVIOUR MODIFYING COMPOUNDS<br/>[FR] COMPOSES DE MODIFICATION DU COMPORTEMENT D'INSECTES
  申请人：NZ INST FOR CROP & FOOD RES

  公开号：WO2005046330A1

  公开（公告）日：2005-05-26

  The invention provides methods for controlling thrips populations using thrips-repelling and/or thrips-attracting agents. The agents are derivatives of pyridine. The invention also provides methods of preventing or minimising damage to plants by use of the same.

  这项发明提供了利用驱避蓟马和/或吸引蓟马剂来控制蓟马种群的方法。这些剂是吡啶的衍生物。该发明还提供了利用相同剂来预防或减少植物受到的损害的方法。
• Modulators of muscarinic receptors
  申请人：Makings R. Lewis

  公开号：US20080015179A1

  公开（公告）日：2008-01-17

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及肌胆碱受体调节剂。本发明还提供包含这种调节剂的组合物，并提供了用于治疗肌胆碱受体介导疾病的方法。