(2E)-2-(苯基亚肼基)环己酮 | 1687-48-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2E)-2-(苯基亚肼基)环己酮
• 英文名称: cyclohexane-1,2-dione monophenylhydrazone
• 英文别名: 1-cyclohexane-1,2-dione phenylhydrazome；2-(phenylhydrazono)cyclohexanone；(2E)-2-(phenylhydrazinylidene)cyclohexan-1-one
• CAS: 1687-48-5
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: JKGRWIYJFZVNFM-SDNWHVSQSA-N

物化性质

• 熔点：
  183-185 °C
• 沸点：
  332.8±25.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E)-2-(苯基亚肼基)环己酮 在 sodium methylate 、 溶剂黄146 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 2-(hydroxymethylene)-1-oxo-1,2,3,4-tetrahydrocarbazole
  参考文献：
  名称：

  Joseph, Delphine; Martarello, Laurent; Kirsch, Gilbert, Journal of Chemical Research, Miniprint, 1995, # 9, p. 2001 - 2014

  摘要：

  DOI：
• 作为产物：
  描述：

  Cyclohexan-1,2-dion-bisphenylhydrazon 以18%的产率得到
  参考文献：
  名称：

  BHAT V.; DIXIT V. M.; GEORGE M. V., PROC. INDIAN ACAD. SCI.,1979, A 88, NO 4, PART 1,223-237

  摘要：

  DOI：

文献信息

• HCV INHIBITORS
  申请人：Gudmundsson Kristjan

  公开号：US20090170906A1

  公开（公告）日：2009-07-02

  The present invention relates to compounds that are useful in the treatment of viruses belonging to Flaviviridae, including flaviviruses, pestiviruses, and hepaciviruses. The invention includes compounds useful for the treatment or prophylaxis of dengue fever, yellow fever, West Nile virus, and HCV.

  本发明涉及对属于黄病毒科的病毒有用的化合物，包括黄病毒、猪病毒和丙型肝炎病毒。该发明包括用于治疗或预防登革热、黄热病、西尼罗河病毒和丙型肝炎的化合物。
• Stereoselective Formation of Carbon−Carbon Bonds via S_N2-Displacement:  Synthesis of Substituted Cycloalkyl[<i>b</i>]indoles
  作者：Michael C. Hillier、Jean-François Marcoux、Dalian Zhao、Edward J. J. Grabowski、Arlene E. McKeown、Richard D. Tillyer

  DOI：10.1021/jo051146p

  日期：2005.10.1

  A general asymmetric synthesis of substituted cycloalkyl[b]indoles has been accomplished. The key features of this approach are (1) the utilization of a Japp−Klingemann condensation/Fischer cyclization to prepare cycloalkyl[b]indolones, (2) the asymmetric borane reduction of these heterocyclic ketones with (S)-OAB to obtain enantiomerically pure alcohols, and (3) the stereoselective SN2-displacement

  已经完成了取代的环烷基[ b ]吲哚的一般不对称合成。该方法的关键特征是：（1）利用Japp-Klingemann缩合/菲舍尔环化反应制备环烷基[ b ]吲哚酮，（2）用（S）-OAB将这些杂环酮不对称还原成硼烷，得到对映体纯（3）在Mitsunobu条件下用碳亲核试剂将这些吲哚醇底物的立体选择性S N 2-置换，以设定C 1或C 3叔碳立体中心。使用三甲基膦（PMe 3）和偶氮二羧酸双（2,2,2-三氯乙基）酯（TCEAD）对Mitsunobu脱水烷基化有影响。
• Compositions and Methods for Viral Inhibition
  申请人：Ni Zhi-Jie

  公开号：US20070276009A1

  公开（公告）日：2007-11-29

  The present invention discloses methods and compositions for viral inhibition, particularly inhibition of HCV and SARS. The invention also provides compositions including carbazole derivatives useful for viral inhibition.

  本发明揭示了病毒抑制的方法和组合物，特别是对HCV和SARS的抑制。本发明还提供了包括咔唑衍生物的组合物，用于病毒抑制。
• Synthesis and biological activity of a novel class of pyridazine analogues as non-competitive reversible inhibitors of protein tyrosine phosphatase 1B (PTP1B)
  作者：C Liljebris

  DOI：10.1016/s0968-0896(02)00176-1

  日期：2002.10

  A series of novel pyridazine analogues were prepared and the structure activity relationship of their behavior as inhibitors of PTP1B was evaluated. Most of the analogues had potencies in the low micromolar range. The in vitro kinetics of this compound series demonstrated that they were reversible non-competitive binders. This indicates that there may exist another site in the enzyme through which enzyme activity can be inhibited, which is not a recognized interaction domain. Some of the analogues exhibited high selectivity for other PTPases, for example, compound 12mp showed 20-fold selectivity for PTP1B (IC50 = 5.6 muM) versus both TCPTP and LAR (>100 muM, respectively). In contrast to many tyrosine phosphatase mimetic inhibitors, this compound class lacks negative charge and thus showed high permeability across cell membranes. Selective analogues in the series were analyzed in an in vitro cellular assay, which showed increased insulin-stimulated insulin receptor phosphorylation. (C) 2002 Elsevier Science Ltd. All rights reserved.
• BHAT V.; DIXIT V. M.; GEORGE M. V., PROC. INDIAN ACAD. SCI.,1979, A 88, NO 4, PART 1,223-237
  作者：BHAT V.、 DIXIT V. M.、 GEORGE M. V.

  DOI：——

  日期：——