1,1-Dimethylethyl N-[2-[(2,4-dinitrophenyl)amino]ethyl]carbamate | 911209-11-5

• 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: 1,1-Dimethylethyl N-[2-[(2,4-dinitrophenyl)amino]ethyl]carbamate
• 英文别名: tert-butyl N-[2-(2,4-dinitroanilino)ethyl]carbamate
• CAS: 911209-11-5
• 化学式: C₁₃H₁₈N₄O₆
• 分子量: 326.309
• InChiKey: RPLRNVOQISBWAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1-Dimethylethyl N-[2-[(2,4-dinitrophenyl)amino]ethyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以95%的产率得到N1-(2,4-硝基苯基)-1,2-乙二胺
  参考文献：
  名称：

  HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE

  摘要：

  公开号：

  EP2078197B1
• 作为产物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 2,4-二硝基氟苯 以 二氯甲烷 为溶剂， 反应 2.0h， 以40%的产率得到1,1-Dimethylethyl N-[2-[(2,4-dinitrophenyl)amino]ethyl]carbamate
  参考文献：
  名称：

  HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE

  摘要：

  公开号：

  EP2078197B1

文献信息

• Haptens, hapten conjugates, compositions thereof and method for their preparation and use
  申请人：Ventana Medical Systems, Inc.

  公开号：EP2442107A2

  公开（公告）日：2012-04-18

  A method for performing a multiplexed diagnostic assay, such as for two or more different targets in a sample, is described. One embodiment comprised contacting the sample with two or more specific binding moieties that bind specifically to two or more different targets. The two or more specific binding moieties are conjugated to different haptens, and at least one of the haptens is an oxazole, a pyrazole, a thiazole, a nitroaryl compound other than dinitrophenyl, a benzofurazan, a triterpene, a urea, a thiourea, a rotenoid, a coumarin, a cyclolignan, a heterobiaryl, an azo aryl, or a benzodiazepine. The sample is contacted with two or more different anti-hapten antibodies that can be detected separately. The two or more different anti-hapten antibodies may be conjugated to different detectable labels.

  本文描述了一种进行多重诊断检测的方法，例如针对样品中两个或多个不同靶点的检测。其中一个实施方案包括用两个或两个以上特异性结合分子与样品接触，这些特异性结合分子与两个或两个以上不同的靶标特异性结合。这两种或两种以上特异性结合分子与不同的抗原共轭，其中至少一种抗原是噁唑、吡唑、噻唑、二硝基苯以外的硝基芳基化合物、苯并呋喃、三萜、脲、硫脲、类橙皮甙、香豆素、环木脂素、杂芳基、偶氮芳基或苯并二氮杂卓。样品与两种或两种以上可分别检测的不同抗链肽抗体接触。两种或多种不同的抗链肽抗体可与不同的可检测标签连接。
• Synthesis and biological activity of splitomicin analogs targeted at human NAD+-dependent histone deacetylases (sirtuins)
  作者：Marcus Freitag、Jörg Schemies、Tim Larsen、Khattab El Gaghlab、Felix Schulz、Tobias Rumpf、Manfred Jung、Andreas Link

  DOI：10.1016/j.bmc.2011.01.026

  日期：2011.6

  Small molecules interfering with posttranslational modification of histones are of interest as tools to study epigenetic regulation of gene transcription. Specifically, drugs that interfere with histone deacetylation could be useful to induce differentiation, growth arrest as well as apoptotic cell death in tumor cells. One class of histone deacetylases is known as sirtuins some of which (Saccharomyces cerevisiae Sir2) are for example inhibited by the lactone splitomicin leading to telomeric silencing in yeast. However, splitomicin is only a micromolar inhibitor of yeast Sir2 and does not inhibit human subtypes and the lactone is prone to hydrolytic ring opening. In preliminary SAR-studies, splitomicin analogs lacking this hydrolytically labile ring were described as inactive while the naphthalene moiety could successfully be replaced by smaller aromatic rings in a fragment-like dihydrocoumarin. Here we report the synthesis and biological activity of a series of hydrolytically stable analogs with activity against human SIRT1 and 2. These comparatively small compounds characterized by high ligand efficiency are used as a starting point toward the development of specific inhibitors of histone deacetylases from the class of sirtuins. (C) 2011 Elsevier Ltd. All rights reserved.
• MONO- AND DINITROPYRAZOLE HAPTEN CONJUGATES
  申请人：Ventana Medical Systems, Inc.

  公开号：EP2444807B1

  公开（公告）日：2014-06-11
• US7695929B2
  申请人：——

  公开号：US7695929B2

  公开（公告）日：2010-04-13
• US8846320B2
  申请人：——

  公开号：US8846320B2

  公开（公告）日：2014-09-30