tert-butyl (2-(1H-imidazol-1-yl)-2-oxoethyl)(methyl)carbamate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (2-(1H-imidazol-1-yl)-2-oxoethyl)(methyl)carbamate
• 英文别名: Tert-butyl 2-(1h-imidazol-1-yl)-2-oxoethylmethylcarbamate；tert-butyl N-(2-imidazol-1-yl-2-oxoethyl)-N-methylcarbamate
• 化学式: C₁₁H₁₇N₃O₃
• 分子量: 239.274
• InChiKey: RKDUQVUMLLYTIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(1H-imidazol-1-yl)-2-oxoethyl)(methyl)carbamate 在 caesium carbonate 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 50.67h， 生成 methyl 2-((tert-butoxycarbonyl(methyl)amino)methyl)-4,6-dihydroxybenzoate
  参考文献：
  名称：

  Conversion of α-Amino Acids into Bioactive o-Aminoalkyl Resorcylates and Related Dihydroxyisoindolinones

  摘要：

  The synthesis of biologically active o-aminoalkyl resorcylates and related dihydroxyisoindolinones from functionalized alpha-amino acids without the use of phenolic protection is described. The key aminoalkyl-diketo-dioxinone intermediates were prepared utilizing a crossed Claisen condensation reaction in the presence of diethylzinc. The aromatic unit was constructed via late stage cyclization and aromatization, and subsequent modification provided the novel resorcylates which showed activity against a selection of receptors and kinases, including 5-HT and CDK.

  DOI：

  10.1021/jo2009356
• 作为产物：
  描述：

  叔丁氧羰酰基肌氨酸 、 N,N'-羰基二咪唑 生成 tert-butyl (2-(1H-imidazol-1-yl)-2-oxoethyl)(methyl)carbamate
  参考文献：
  名称：

  一系列新型的含苯并吡喃的血小板活化因子拮抗剂的合成与构效关系。

  摘要：

  一类N-取代的四氢苯并吡喃并[3,4-c]吡啶是血小板活化因子（PAF）的拮抗剂。PAF结合必不可少的结构特征是通过分子中三个位点的系统修饰来确定的。尽管O-烷基类似物对结合效能影响很小，但是N-烷基类似物表现出广泛的活性。核心环系统的结构变化通常导致结合活性的丧失。N和O取代基的优化导致类似物25-27在[3H] PAF结合测定中显示Ki值在131至167 nM之间。静脉内给药后，化合物23在PAF诱导的小鼠休克模型中也具有活性。

  DOI：

  10.1021/jm00089a016

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE LA FIBROSE KYSTIQUE
  申请人：UNIV MISSOURI

  公开号：WO2019136314A1

  公开（公告）日：2019-07-11

  Provided are compounds having Formula (1), compositions thereof, and methods of modulating CFTR activity. Also provided are methods of treating a condition associated with decreased CFTR activity comprising administering to a subject an effective amount of a compound of Formula (1), optionally with other therapeutic agent(s).

  提供了具有化学式（1）的化合物，其组合物以及调节CFTR活性的方法。还提供了治疗与CFTR活性降低相关的疾病的方法，包括向受试者施用化合物的有效量的化合物（1），可选择性地与其他治疗剂一起使用。
• [EN] THIAZOLYL-DIHYDRO-INDAZOLES<br/>[FR] THIAZOLYLDIHYDROINDAZOLES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009112565A1

  公开（公告）日：2009-09-17

  The present invention encompasses compounds of general formula (1) wherein R1 to R3 are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了一般式（1）中R1至R3的化合物，其中R1至R3的定义如权利要求书中所述，适用于治疗以细胞过度或异常增殖为特征的疾病，并用于制备具有上述特性的药物。
• Synthesis of 6-Substituted-4-Hydroxy-2-pyridinones via Intramolecular Ketene Trapping of Functionalized Enamine-Dioxinones
  作者：Bhavesh H. Patel、Andrew M. Mason、Anthony G. M. Barrett

  DOI：10.1021/ol202028t

  日期：2011.10.7

  The synthesis of various 6-substituted-4-hydroxy-2-pyridinones is reported. The functionalized keto-dioxinones were constructed via a diethylzinc mediated crossed Claisen condensation reaction and subsequent enamine formation, thermolysis, and cyclization–aromatization providing the pyridinone unit.

  报道了各种6-取代的-4-羟基-2-吡啶酮的合成。通过二乙基锌介导的交叉克莱森缩合反应和随后的烯胺形成，热解和环化芳香化反应构建了功能化的酮二恶酮，从而提供了吡啶酮单元。
• Synthesis and structure-activity relationships of a series of novel benzopyran-containing platelet activating factor antagonists
  作者：Denise E. Guinn、James B. Summers、H. Robin Heyman、Richard G. Conway、David A. Rhein、Daniel H. Albert、Terry Magoc、George W. Carter

  DOI：10.1021/jm00089a016

  日期：1992.5

  A class of N-substituted tetrahydrobenzopyrano[3,4-c]pyridines, I, have been identified as antagonists of platelet activating factor (PAF). The structural features essential for PAF binding were determined by systematic modification of three sites in the molecule. While O-alkyl analogues had little effect on binding potency, N-alkyl analogues exhibited a wide range of activity. Structural changes in

  一类N-取代的四氢苯并吡喃并[3,4-c]吡啶是血小板活化因子（PAF）的拮抗剂。PAF结合必不可少的结构特征是通过分子中三个位点的系统修饰来确定的。尽管O-烷基类似物对结合效能影响很小，但是N-烷基类似物表现出广泛的活性。核心环系统的结构变化通常导致结合活性的丧失。N和O取代基的优化导致类似物25-27在[3H] PAF结合测定中显示Ki值在131至167 nM之间。静脉内给药后，化合物23在PAF诱导的小鼠休克模型中也具有活性。
• Thiazolyl-Dihydro-Indazoles
  申请人：McCONNELL Darryl

  公开号：US20120108567A1

  公开（公告）日：2012-05-03

  The present invention encompasses compounds of general formula (1) wherein R 1 to R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物，其中R1到R3的定义如权利要求书中所述，适用于治疗由过度或异常细胞增殖所表征的疾病，并且其用于制备具有上述特性的药物。