二丁基4-丁氧基吡啶-2,6-二羧酸酯 | 173314-94-8

• 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: 二丁基4-丁氧基吡啶-2,6-二羧酸酯
• 英文名称: dibutyl 4-butoxypyridine-2,6-dicarboxylate
• CAS: 173314-94-8
• 化学式: C₁₉H₂₉NO₅
• 分子量: 351.443
• InChiKey: FUJOJZRLEVUCLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二丁基4-丁氧基吡啶-2,6-二羧酸酯 在 1-氧化-2-巯基吡啶 、 4-二甲氨基吡啶 、 氢氧化钾 、 三氯溴甲烷 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 4-n-butoxy-2,6-dibromopyridine
  参考文献：
  名称：

  Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors

  摘要：

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.

  DOI：

  10.1021/ja00155a006
• 作为产物：
  描述：

  1-碘丁烷 、 4-氧代-1,4-二氢-2,6-吡啶二甲酸 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 48.0h， 以14%的产率得到二丁基4-丁氧基吡啶-2,6-二羧酸酯
  参考文献：
  名称：

  [EN] AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS
  [FR] COMPOSES DE PYRIDINYL-METHANONE AMINO SUBSTITUES UTILES DANS LE TRAITEMENT DE TROUBLES INDUITS PAR LA KINASE

  摘要：

  本发明提供了氨基取代的吡啶甲酮化合物；包括这些化合物的药物组合物以及它们的合成方法。这些化合物是细胞周期依赖性激酶（CDK）抑制剂，可用于治疗或缓解CDK介导的疾病。因此，本发明还提供了利用这些化合物和/或药物组合物治疗此类疾病的治疗或预防用途。

  公开号：

  WO2005051387A1

文献信息

• [EN] AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS<br/>[FR] COMPOSES DE PYRIDINYL-METHANONE AMINO SUBSTITUES UTILES DANS LE TRAITEMENT DE TROUBLES INDUITS PAR LA KINASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005051387A1

  公开（公告）日：2005-06-09

  The present invention provides amino substituted pyridinyl methanone compounds; pharmaceutical compositions comprising the compounds and methods of synthesis thereof. The compounds, which are cyclin dependent kinase (CDK) inhibitors, can be used to treat or ameliorate CDK mediated disorders. The invention thus also provides the therapeutic or prophylactic use of the compounds and/or pharmaceutical compositions to treat such disorders.

  本发明提供了氨基取代的吡啶甲酮化合物；包括这些化合物的药物组合物以及它们的合成方法。这些化合物是细胞周期依赖性激酶（CDK）抑制剂，可用于治疗或缓解CDK介导的疾病。因此，本发明还提供了利用这些化合物和/或药物组合物治疗此类疾病的治疗或预防用途。
• 3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation
  作者：Ronghui Lin、Yanhua Lu、Steven K. Wetter、Peter J. Connolly、Ignatius J. Turchi、William V. Murray、Stuart L. Emanuel、Robert H. Gruninger、Angel R. Fuentes-Pesquera、Mary Adams、Niranjan Pandey、Sandra Moreno-Mazza、Steven A. Middleton、Linda K. Jolliffe

  DOI：10.1016/j.bmcl.2005.03.024

  日期：2005.5

  A novel series of 2,6-diamino-3-acylpyridines were designed and synthesized as cyclin-dependent kinase (CDK) inhibitors. The representative compounds 2r and 11 showed potent CDK1 and CDK2 inhibitory activities and inhibited cellular proliferation in HeLa, HCT116, and A375 tumor cells. © 2005 Elsevier Ltd. All rights reserved.
• Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors
  作者：Masahiko Inouye、Toshiyuki Miyake、Masaru Furusyo、Hiroyuki Nakazumi

  DOI：10.1021/ja00155a006

  日期：1995.12

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.