4-tert-butyl-N-(4-(pyridin-3-ylcarbamoyl)benzyl)benzamide | 1262990-72-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-tert-butyl-N-(4-(pyridin-3-ylcarbamoyl)benzyl)benzamide
• 英文别名: 4-[[(4-tert-butylbenzoyl)amino]methyl]-N-pyridin-3-ylbenzamide
• CAS: 1262990-72-6
• 化学式: C₂₄H₂₅N₃O₂
• 分子量: 387.481
• InChiKey: GORLQDVSAOBOBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  545.4±50.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-[(叔丁氧羰基氨基)甲基]苯甲酸 在 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 4-tert-butyl-N-(4-(pyridin-3-ylcarbamoyl)benzyl)benzamide
  参考文献：
  名称：

  Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT)

  摘要：

  The fragment-based identification of two novel and potent biochemical inhibitors of the nicotinamide phosphoribosyltransferase (NAMPT) enzyme is described. These compounds (51 and 63) incorporate an amide moiety derived from 3-aminopyridine, and are thus structurally distinct from other known anti-NAMPT agents. Each exhibits potent inhibition of NAMPT biochemical activity (IC50=19 and 15 nM, respectively) as well as robust antiproliferative properties in A2780 cell culture experiments (IC50=121 and 99 nM, respectively). However, additional biological studies indicate that only inhibitor 51 exerts its A2780 cell culture effects via a NAMPT-mediated mechanism. The crystal structures of both 51 and 63 in complex with NAMPT are also independently described.

  DOI：

  10.1016/j.bmcl.2013.12.062

文献信息

• [EN] HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE<br/>[FR] HÉTÉROARYL BENZAMIDES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2011011514A1

  公开（公告）日：2011-01-27

  Provided are certain heteroaryl benzamides, compositions, and methods of their manufacture and use.

  提供了某些杂环芳酰苯胺、组合物及其制备和使用方法。
• HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE
  申请人：Sutphin Patrick D.

  公开号：US20120225862A1

  公开（公告）日：2012-09-06

  Provided are certain heteroaryl benzamides, compositions, and methods of their manufacture and use.

  提供了某些杂环芳酰苯胺、组成物及其制造和使用方法。
• Methods for selective inhibition of pluripotent stem cells
  申请人：THE MEDICAL COLLEGE OF WISCONSIN, INC.

  公开号：US10316287B2

  公开（公告）日：2019-06-11

  Provided herein are methods of reducing or eliminating undifferentiated pluripotent stem cells, where the methods comprise contacting an effective amount of a compound to a heterogeneous cell population or sample comprising or suspected of comprising differentiated cell types and undifferentiated pluripotent stem cells, whereby the contacting selectively reduces or eliminates undifferentiated pluripotent stem cells from the cell population or sample. Also provided are methods for obtaining a population of stem cell-derived cell types substantially free of undifferentiated pluripotent stem cells as well as isolated populations of such of stem cell-derived cell types.

  本文提供了减少或消除未分化多能干细胞的方法，其中方法包括将有效量的化合物与包括或疑似包括分化细胞类型和未分化多能干细胞的异质细胞群或样本接触，从而选择性地减少或消除细胞群或样本中的未分化多能干细胞。此外，还提供了获得基本不含未分化多能干细胞的干细胞衍生细胞群体以及干细胞衍生细胞分离群体的方法。
• METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS
  申请人：The Medical College of Wisconsin, Inc.

  公开号：EP3097186A1

  公开（公告）日：2016-11-30
• SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT
  申请人：Irwin John

  公开号：US20140128397A1

  公开（公告）日：2014-05-08

  The present invention provides methods for inhibiting growth and proliferation of HIF pathway proficient cells by administering GLUT1 inhibitors of the invention to HIF pathway proficient cells.