3-iodo-isonitrosoacetanilide | 63608-68-4

• 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: 3-iodo-isonitrosoacetanilide
• 英文别名: m-Iodisonitrosoacetanilid；hydroxyimino-acetic acid-(3-iodo-anilide)；Hydroxyimino-essigsaeure-(3-jod-anilid)；2-hydroxyimino-N-(3-iodophenyl)acetamide
• CAS: 63608-68-4
• 化学式: C₈H₇IN₂O₂
• mdl: MFCD11055214
• 分子量: 290.06
• InChiKey: YPDDGDIDSNXLER-UHFFFAOYSA-N

物化性质

• 密度：
  1.87±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  3-iodo-isonitrosoacetanilide 在 硫酸 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.25h， 以59%的产率得到4-碘靛红
  参考文献：
  名称：

  [EN] NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS
  [FR] NOUVEAUX DÉRIVÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'INHIBITEURS DE SHP2

  摘要：

  提供了某些吡嗪衍生物（I）作为SHP2抑制剂，其化学式如下（I），以及它们的合成和用于治疗SHP2介导的疾病。更具体地，提供了有用作为SHP2抑制剂的融合杂环衍生物，生产这类化合物的方法以及治疗SHP2介导的疾病的方法。

  公开号：

  WO2017211303A1
• 作为产物：
  描述：

  1-碘-3-硝基苯 在 盐酸 、 盐酸羟胺 、 sodium sulfate 、 tin(ll) chloride 作用下， 反应 2.0h， 生成 3-iodo-isonitrosoacetanilide
  参考文献：
  名称：

  Demonstration and analysis of bridging regioselectivity operative during di-.pi.-methane photorearrangement of ortho-substituted benzonorbornadienes and anti-7,8-benzotricyclo[4.2.2.02,5]deca-3,7,9-trienes

  摘要：

  DOI：

  10.1021/ja00453a036

文献信息

• Counter-Current chromatography separation of isatin derivatives using the sandmeyer methodology
  作者：Márcia R. Almeida、Gilda G. Leitão、Bárbara V. Silva、Jussara P. Barbosa、Angelo C. Pinto

  DOI：10.1590/s0103-50532010000400025

  日期：——

  method, using high-speed counter-current chromatography (HSCCC) technique, was developed for the separation of isomeric isatin derivatives, prepared following the Sandmeyer route. The biphasic solvent system composed of hexane:ethyl acetate:ethanol:water 1:0.5:0.5:1 (v/v/v/v) was used for all separations.

  开发了一种快速高效的方法，使用高速逆流色谱（HSCCC）技术分离按照Sandmeyer路线制备的同分异构的Isatin衍生物。所有分离均使用由己烷：乙酸乙酯：乙醇：水1：0.5：0.5：1（v / v / v / v）组成的双相溶剂系统。
• Direct synthesis of new arylanthranilic acids via a Suzuki cross-coupling reaction from iodoisatins
  作者：Anne-Laure Gérard、Vincent Lisowski、Sylvain Rault

  DOI：10.1016/j.tet.2005.04.022

  日期：2005.6

  Direct synthesis of new arylanthranilic acids via a Suzuki cross-coupling reaction with iodoisatins as key intermediates is described. A 'one pot' procedure is proposed. (c) 2005 Elsevier Ltd. All rights reserved.
• Holt; Sadler, Proceedings of the Royal Society of London. Series B, Biological sciences, 1958, vol. 148, p. 481,485,486
  作者：Holt、Sadler

  DOI：——

  日期：——
• Structural Basis for the Synthesis of Indirubins as Potent and Selective Inhibitors of Glycogen Synthase Kinase-3 and Cyclin-Dependent Kinases
  作者：Panagiotis Polychronopoulos、Prokopios Magiatis、Alexios-Leandros Skaltsounis、Vassilios Myrianthopoulos、Emmanuel Mikros、Aldo Tarricone、Andrea Musacchio、S. Mark Roe、Laurence Pearl、Maryse Leost、Paul Greengard、Laurent Meijer

  DOI：10.1021/jm031016d

  日期：2004.2.1

  Pharmacological inhibitors of glycogen synthase kinase-3 (GSK-3) and cyclin-dependent kinases have a promising potential for applications against several neurodegenerative diseases such as Alzheimer's disease. Indirubins, a family of bis-indoles isolated from various natural sources, are potent inhibitors of several kinases, including GSK-3. Using the cocrystal structures of various indirubins with GSK-3beta, CDK2 and CDK5/p25, we have modeled the binding of indirubins within the ATP-binding pocket of these kinases. This modeling approach provided some insight into the molecular basis of indirubins' action and selectivity and allowed us to forecast some improvements of this family of bis-indoles as kinase inhibitors. Predicted molecules, including 6-substituted and 5,6-disubstituted indirubins, were synthesized and evaluated as CDK and GSK-3 inhibitors. Control, kinase-inactive indirubins were obtained by introduction of a methyl substitution on N1.
• Favini; Piozzi, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1955, vol. <8>19, p. 44,48
  作者：Favini、Piozzi

  DOI：——

  日期：——