trans-N-butyl-3-(3'-5pyridyl)acrylamide | 1070909-15-7

• 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
• 英文名称: trans-N-butyl-3-(3'-5pyridyl)acrylamide
• 英文别名: trans-N-butyl-3-(3-pyridyl)acrylamide；(E)-N-butyl-3-pyridin-3-ylprop-2-enamide
• CAS: 1070909-15-7
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: FSGHOYLKNYBDCL-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  反-3(3-吡啶基)烯丙酸 、 正丁胺 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以18%的产率得到trans-N-butyl-3-(3'-5pyridyl)acrylamide
  参考文献：
  名称：

  SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)

  摘要：

  本发明涉及新型化合物，其用作抗癌剂和其合成。特别是，这些化合物包含簇硼基团，如碳硼烷或硼氢化物，并作为酶Nampt的抑制剂。创新簇硼化合物的生物学特性，在生物抑制和抗增殖效果方面，比其他Nampt小分子抑制剂更强。

  公开号：

  US20150322093A1

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)<br/>[FR] INHIBITEURS À PETITE MOLÉCULE DE NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE (NAMPT)
  申请人：UNIV MISSOURI

  公开号：WO2013082150A1

  公开（公告）日：2013-06-06

  The present invention relates to novel compounds, their use as anti-cancer agents and their synthesis. In particular, the compounds contain cluster boron moieties such as carborane or a borohydride and act as inhibitors for the enzyme Nampt. The biological properties of the inventive cluster boron compounds, in terms of biological inhibition and antiproliferative effect, are greater than other small molecule inhibitors of Nampt.

  本发明涉及新化合物，其用作抗癌药物以及它们的合成。具体而言，这些化合物含有簇硼基团，如碳硼烷或硼氢化物，并作为酶Nampt的抑制剂。这些创新的簇硼化合物在生物抑制和抗增殖效果方面的生物学性质优于其他Nampt的小分子抑制剂。
• [EN] LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT<br/>[FR] CONJUGUÉS LLP2A-BISPHOSPHONATE POUR LE TRAITEMENT DE L'OSTÉOPOROSE
  申请人：UNIV CALIFORNIA

  公开号：WO2013032527A1

  公开（公告）日：2013-03-07

  The present invention provides compounds and pharmaceutical compositions of a peptidomimetic ligand, e.g. LLP2A, conjugated with a bisphosphonate drug, e.g. Alendronate. The compounds and pharmaceutical compositions of the present invention are useful in the treatment of osteoporosis and for the promotion of bone growth due to their specificity for the α4β1 integrin on mesenchymal stem cells and for the surface of bone.

  本发明提供了一种肽类模拟配体化合物和制药组合物，例如LLP2A，与双磷酸盐药物，例如阿伦膦酸，结合。本发明的化合物和制药组合物由于对间充质干细胞上的α4β1整合素和骨表面的特异性，对骨质疏松症的治疗和促进骨生长具有用处。
• Alpha-4 beta-1 integrin ligands for imaging and therapy
  申请人：Lam S. Kit

  公开号：US20060019900A1

  公开（公告）日：2006-01-26

  The present invention provides α 4 β 1 integrin ligands that display high binding affinity, specificity, and stability. The ligands comprise a peptide having n independently selected amino acids, wherein at least one amino acid is an unnatural amino acid or a D-amino acid, and wherein n is an integer of from 3 to 20. Methods are provided for administering the ligands for treating cancer, inflammatory diseases, and autoimmune diseases. Also provided are methods for administering the ligands for imaging a tumor, organ, or tissue in a subject.

  本发明提供了α4β1整合素配体，该配体具有高结合亲和力、特异性和稳定性。该配体包括具有n个独立选择的氨基酸的肽，其中至少一个氨基酸是非天然氨基酸或D-氨基酸，n为3到20的整数。提供了用于治疗癌症、炎症性疾病和自身免疫疾病的配体给药方法。还提供了用于在受试者中成像肿瘤、器官或组织的配体给药方法。
• HIGH ACTIVITY STING PROTEIN AGONIST
  申请人：Adlai Nortye Biopharma Co., Ltd.

  公开号：EP3842437A1

  公开（公告）日：2021-06-30

  The present disclosure provides compounds of Formula (I), pharmaceutical compositions thereof, and methods of using compounds of Formula (I) to prevent and/or treat immune-related disorders.

  本公开提供了式（I）化合物、其药物组合物以及使用式（I）化合物预防和/或治疗免疫相关疾病的方法。
• Carboranes Increase the Potency of Small Molecule Inhibitors of Nicotinamide Phosphoribosyltranferase
  作者：Mark W. Lee、Yulia V. Sevryugina、Aslam Khan、Shui Q. Ye

  DOI：10.1021/jm300740t

  日期：2012.8.23

  Herein we report the use of carboranes to significantly increase the potency of small molecule inhibitors of nicotinamide phosphoribosyltranferase (Nampt), an enzyme that is central to metabolism and cell survival. We compare the inclusion of carborane with other similarly sized substituents and demonstrate that, compared with their purely organic counterparts, these molecules exhibit up to 10-fold greater antiproliferative activity against cancer cells in vitro and a 100-fold increase in Nampt inhibition.