1H-咪唑-1-基(2-甲基-3-吡啶基)甲酮 | 1055970-47-2

• 物质功能分类: 医药中间体
• 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: 1H-咪唑-1-基(2-甲基-3-吡啶基)甲酮
• 英文名称: 2-methylnicotinic acid imidazolide
• 英文别名: 3-(1H-Imidazol-1-ylcarbonyl)-2-methylpyridine；imidazol-1-yl-(2-methylpyridin-3-yl)methanone
• CAS: 1055970-47-2
• 化学式: C₁₀H₉N₃O
• 分子量: 187.201
• InChiKey: OWQPEDNXDCVXJO-UHFFFAOYSA-N

物化性质

• 熔点：
  68-72°C
• 溶解度：
  二甲基亚砜|18.72|100|

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1H-咪唑-1-基(2-甲基-3-吡啶基)甲酮 在 氨 、 三乙胺 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-氰基-2-甲基吡啶
  参考文献：
  名称：

  Selective Cyclooxygenase-2 Inhibitors:  Heteroaryl Modified 1,2-Diarylimidazoles Are Potent, Orally Active Antiinflammatory Agents

  摘要：

  A series of heteroaryl modified 1,2-diarylimidazoles has been synthesized and found to be potent and highly selective (1000-9000-fold) inhibitors of the human COX-2. 3-Pyridyl derived COX-2 selective inhibitor (25) exhibited excellent activity in acute (carrageenan induced paw edema, ED50 = 5.4 mg/kg) and chronic (adjuvant induced arthritis, ED50 = 0.25 mg/kg) models of inflammation. The relatively long half-life of 25 in rat and dog prompted investigation of the pyridyl and other heteroaromatic systems containing potential metabolic functionalities. A number of substituted pyridyl and thiazole containing compounds (e.g., 44, 46, 54, 76, and 78) demonstrated excellent oral activity in every efficacy model evaluated. Several orally active diarylimidazoles exhibited desirable pharmacokinetics profiles and showed no CI toxicity in the rat up to 100 mg/kg in both acute and chronic models. The paper describes facile and practical syntheses of the targeted diarylimidazoles. The structure-activity relationships and antiinflammatory properties of a series of diarylimidazoles are discussed.

  DOI：

  10.1021/jm0000719
• 作为产物：
  描述：

  2-甲基烟酸 、 N,N'-羰基二咪唑 以 氘代二甲亚砜 为溶剂， 反应 1.0h， 生成 1H-咪唑-1-基(2-甲基-3-吡啶基)甲酮
  参考文献：
  名称：

  通过 2'-OH 酰化结合 RNA：决定核苷酸反应性的机制

  摘要：

  RNA 2'-OH 基团的酰化反应性已证明可广泛用于标记和定位 RNA。在这里，我们进行动力学研究以测试控制该反应的机制，并且我们发现强烈的空间和诱导效应调节反应性。结果阐明了改进偶联和作图的新策略。

  DOI：

  10.1039/d2cc00660j

文献信息

• Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof
  申请人：WISSNER Allan

  公开号：US20080293712A1

  公开（公告）日：2008-11-27

  The present invention relates to Benzo[c][2,7]naphthyridine Derivatives, compositions comprising an effective amount of a Benzo[c][2,7]naphthyridine Derivative, methods for treating or preventing a proliferative disorder or an autoimmune disease, comprising administering to a subject in need thereof an effective amount of a Benzo[c][2,7]naphthyridine Derivative, methods for modulating PDK-1 activity, PKA activity, Akt activity, S6K activity, or PKC activity, comprising administering to a subject in need thereof an effective amount of a Benzo[c][2,7]naphthyridine Derivative. The invention also relates to processes for preparing a Benzo[c][2,7]naphthyridine Derivative.

  本发明涉及苯并[c][2,7]萘啉衍生物，包含有效量苯并[c][2,7]萘啉衍生物的组合物，用于治疗或预防增殖性疾病或自身免疫疾病的方法，包括向需要治疗的受体内给予有效量的苯并[c][2,7]萘啉衍生物，用于调节PDK-1活性、PKA活性、Akt活性、S6K活性或PKC活性的方法，包括向需要治疗的受体内给予有效量的苯并[c][2,7]萘啉衍生物。本发明还涉及制备苯并[c][2,7]萘啉衍生物的过程。
• Post-transcriptionally chemically modified double strand RNAs
  申请人：nanoSUR LLC

  公开号：US10131911B2

  公开（公告）日：2018-11-20

  Described are post transcriptionally chemically modified double strand RNAs (MdsRNAs) having more than 30 base pairs. The MdsRNAs inhibit gene expression in target organisms. Also described are methods of making and using MdsRNAs.

  所描述的是转录后化学修饰的双链 RNA（MdsRNA），其碱基对超过 30 个。这些 MdsRNAs 可抑制目标生物的基因表达。还描述了制造和使用 MdsRNAs 的方法。
• Low sequence bias single-stranded DNA ligation
  申请人：The Penn State Research Foundation

  公开号：US10640828B2

  公开（公告）日：2020-05-05

  The invention provides compositions and methods for ligating single stranded nucleic acids wherein the ligation is based on fast, efficient, and low-sequence bias hybridization of an acceptor molecule with a donor molecule. In one embodiment, the structure of the donor molecule comprises a stem-loop intramolecular nucleotide base pairing (i.e., hairpin) and a 3′-overhang region such that the overhang is able to hybridize to nucleotides present in the 3′ end of the acceptor molecule.

  本发明提供了用于连接单链核酸的组合物和方法，其中连接基于受体分子与供体分子的快速、高效和低序列偏差杂交。在一个实施方案中，供体分子的结构包括茎环分子内核苷酸碱基配对（即发夹）和 3′-悬垂区，使悬垂区能够与受体分子 3′端存在的核苷酸杂交。
• Method of producing an aptamer and uses thereof
  申请人：City University of Hong Kong

  公开号：US11326169B2

  公开（公告）日：2022-05-10

  A method of producing an aptamer selectively binding a non-canonical structure of a target nucleic acid molecule includes the steps of: incubating a plurality of nucleic acid sequences with an enantiomer of the non-canonical structure under suitable conditions to obtain one or more candidate nucleic acid sequences binding to the enantiomer of the non-canonical structure, purifying and amplifying the one or more candidate nucleic acid sequences; repeating said incubating, purifying and amplifying steps for a predetermined number of cycles under different conditions; and producing an enantiomer for selected amplified candidate nucleic acid sequence to obtain the aptamer capable of selectively binding the non-canonical structure of the target nucleic acid molecule. An aptamer selectively binding to a non-canonical structure of a nucleic acid molecule or its enantiomer, the aptamer comprising a sequence of SEQ ID NO: 11; as well as uses of the aptamer or its enantiomer.

  一种生产选择性结合目标核酸分子非典型结构的适配体的方法包括以下步骤：在适当条件下将多个核酸序列与非典型结构的对映体孵育，以获得一个或多个与非典型结构的对映体结合的候选核酸序列，纯化和扩增一个或多个候选核酸序列；在不同条件下重复上述孵育、纯化和扩增步骤预定次数的循环；以及为选定的扩增候选核酸序列生产对映体，以获得能够选择性结合目标核酸分子非典型结构的适配体。一种可选择性结合核酸分子非经典结构的适配体或其对映体，该适配体包括 SEQ ID NO: 11 的序列；以及该适配体或其对映体的用途。
• Benzo[c][2,7]naphthyridines as inhibitors of PDK-1
  作者：Kyung-Hee Kim、Allan Wissner、Middleton B. Floyd、Heidi L. Fraser、Yanong D. Wang、Russell G. Dushin、Yongbo Hu、Andrea Olland、Bing Guo、Kim Arndt

  DOI：10.1016/j.bmcl.2009.07.007

  日期：2009.9

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.