N-(4-hydroxynaphthalen-1-yl)methanesulfonamide | 881480-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(4-hydroxynaphthalen-1-yl)methanesulfonamide
• CAS: 881480-08-6
• 化学式: C₁₁H₁₁NO₃S
• 分子量: 237.279
• InChiKey: YIHVEMGCWOYDLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-hydroxynaphthalen-1-yl)methanesulfonamide 在 NaIO₄/SiO₂ 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 N-(3-((7H-purin-6-yl)thio)-4-hydroxynaphthalen-1-yl)methanesulfonamide
  参考文献：
  名称：

  的发现ñ - （3 - （（7- ħ嘌呤-6-基）硫基）-4-羟基萘-1-基） -磺酰胺衍生物作为新型蛋白激酶和血管生成抑制剂用于治疗癌症的治疗：合成和生物学评价。第三部分

  摘要：

  设计并合成了一系列新型的N-（3-（（7 H-嘌呤-6-基）硫基）-4-羟基萘-1-基）-磺酰胺。生物学特性表明，几种化合物对人脐静脉内皮细胞（HUVEC）和几种癌细胞系具有增强的抗增殖活性，并具有高特异性蛋白激酶和血管生成抑制活性。与我们以前合成的化合物相比，磺酰胺结构取代酰胺片段对抑制活性的提高起着至关重要的作用。此外，用7 H取代1 H -1,2,4-三唑环-嘌呤并没有导致抑制效果的明显降低，表明磺酰胺结构比1 H -1,2,4-三唑环对抑制效果的贡献更大。在这些化合物中，化合物9n在HUVEC管形成试验和大鼠胸主动脉环（TAR）试验中均显示出与帕唑帕尼相当的体外抗血管生成活性。同时，鉴定出化合物9n有效抑制Akt1（IC 50  = 1.73μM）和Abl酪氨酸激酶（IC 50  = 1.53μM）。

  DOI：

  10.1016/j.bmc.2013.11.052
• 作为产物：
  描述：

  硝基萘 在 叔丁基过氧化氢 、 palladium on activated charcoal 、 氢气 、 potassium hydroxide 作用下， 以 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 5.0h， 生成 N-(4-hydroxynaphthalen-1-yl)methanesulfonamide
  参考文献：
  名称：

  的发现ñ - （3 - （（7- ħ嘌呤-6-基）硫基）-4-羟基萘-1-基） -磺酰胺衍生物作为新型蛋白激酶和血管生成抑制剂用于治疗癌症的治疗：合成和生物学评价。第三部分

  摘要：

  设计并合成了一系列新型的N-（3-（（7 H-嘌呤-6-基）硫基）-4-羟基萘-1-基）-磺酰胺。生物学特性表明，几种化合物对人脐静脉内皮细胞（HUVEC）和几种癌细胞系具有增强的抗增殖活性，并具有高特异性蛋白激酶和血管生成抑制活性。与我们以前合成的化合物相比，磺酰胺结构取代酰胺片段对抑制活性的提高起着至关重要的作用。此外，用7 H取代1 H -1,2,4-三唑环-嘌呤并没有导致抑制效果的明显降低，表明磺酰胺结构比1 H -1,2,4-三唑环对抑制效果的贡献更大。在这些化合物中，化合物9n在HUVEC管形成试验和大鼠胸主动脉环（TAR）试验中均显示出与帕唑帕尼相当的体外抗血管生成活性。同时，鉴定出化合物9n有效抑制Akt1（IC 50  = 1.73μM）和Abl酪氨酸激酶（IC 50  = 1.53μM）。

  DOI：

  10.1016/j.bmc.2013.11.052

文献信息

• The relevance of K i calculation for bi-substrate enzymes illustrated by kinetic evaluation of a novel lysine (K) acetyltransferase 8 inhibitor
  作者：Hannah Wapenaar、Thea van den Bosch、Niek G.J. Leus、Petra E. van der Wouden、Nikolaos Eleftheriadis、Jos Hermans、Gebremedhin Solomon Hailu、Dante Rotili、Antonello Mai、Alexander Dömling、Rainer Bischoff、Hidde J. Haisma、Frank J. Dekker

  DOI：10.1016/j.ejmech.2017.05.015

  日期：2017.8

  Histone acetyltransferases (HATs) are important mediators of epigenetic post-translational modifications of histones that play important roles in health and disease. A disturbance of these modifications can result in disease states, such as cancer or inflammatory diseases. Inhibitors of HATs (HATi) such as lysine (K) acetyltransferase 8 (KAT8), could be used to study the epigenetic processes in diseases related to these enzymes or to investigate HATs as therapeutic targets. However, the development of HATi is challenged by the difficulties in kinetic characterization of HAT enzymes and their inhibitors to enable calculation of a reproducible inhibitory potency. In this study, a fragment screening approach was used, enabling identification of 4-amino-1-naphthol, which potently inhibited KAT8. The inhibitor was investigated for enzyme inhibition using kinetic and calorimetric binding studies. This allowed for calculation of the K-i values for both the free enzyme as well as the acetylated intermediate. Importantly, it revealed a striking difference in binding affinity between the acetylated enzyme and the free enzyme, which could not be revealed by the IC50 value. This shows that kinetic characterization of inhibitors and calculation of K-i values is crucial for determining the binding constants of HAT inhibitors. We anticipate that more comprehensive characterization of enzyme inhibition, as described here, is needed to advance the field of HAT inhibitors. (C) 2017 Elsevier Masson SAS. All rights reserved.
• CONDUCTIVE COMPOSITION, CONDUCTIVE MEMBER AND PRODUCTION METHOD THEREOF, TOUCH PANEL, AND SOLAR CELL
  申请人：FUJIFILM Corporation

  公开号：US20140202531A1

  公开（公告）日：2014-07-24

  A conductive composition includes at least: a) metal conductive fibers having an average minor axis length of from 1 nm to 150 nm; and b) a compound represented by the following Formula (1) or Formula (2) in an amount of from 0.1% by mass to 1000% by mass with respect to the metal conductive fibers: P—(CR 1 ═Y) n -Q  Formula (1) wherein, in Formula (1), P and Q each independently represent a group represented by OH, NR 2 R 3 or CHR 4 R 5 , in which R 2 and R 3 each independently represent a hydrogen atom or a group that can be substituted on a nitrogen atom, and R 4 and R 5 each independently represent a hydrogen atom or a substituent; Y represents CR 6 or a nitrogen atom; R 1 and R 6 each independently represent a hydrogen atom or a substituent; at least two of the groups represented by R 1 , R 2 , R 3 , R 4 , R 5 or R 6 may be bonded to each other to form a ring; n represents an integer from 0 to 5; when n is 0, neither P nor Q is a group represented by OH or CHR 4 R 5 ; and when n represents a number of 2 or greater, the plurality of atomic groups each represented by (CR 1 ═Y) may be the same as or different from each other; R 7 —C(═O)—H  Formula (2) wherein, in Formula (2), R 7 represents a hydrogen atom, an OH group, an alkyl group, an alkenyl group, an alkynyl group, an aryl group or a heterocyclic group.
• ORGANIC SEMICONDUCTOR COMOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20160064674A1

  公开（公告）日：2016-03-03

  An object of the present invention is to provide an organic semiconductor composition, which improves the insulation reliability of an organic thin-film transistor without greatly reducing the mobility of the organic thin-film transistor, an organic thin-film transistor which is prepared by using the organic semiconductor composition, and electronic paper and a display device which use the organic thin-film transistor. The organic semiconductor composition of the present invention contains an organic semiconductor material (A) and a polymer compound (B) containing a repeating unit represented by the following Formula (B).
• US9224518B2
  申请人：——

  公开号：US9224518B2

  公开（公告）日：2015-12-29
• US9343594B2
  申请人：——

  公开号：US9343594B2

  公开（公告）日：2016-05-17