1-ethyl-3,3-dimethyl-6-nitroindol-2-one | 881692-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-ethyl-3,3-dimethyl-6-nitroindol-2-one
• 英文别名: 1-ethyl-3,3-dimethyl-6-nitro-1,3-dihydro-indol-2-one
• CAS: 881692-96-2
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: LUUINGVHEHDLDS-UHFFFAOYSA-N

物化性质

• 沸点：
  429.9±45.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ethyl-3,3-dimethyl-6-nitroindol-2-one 在 platinum(IV) oxide 、 palladium 10% on activated carbon 盐酸 、 乙醇 、 水 、 氢气 、 硝酸 、 乙酸酐 、 sulfur 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.5h， 生成 3-(5-ethyl-7,7-dimethyl-6-oxo-3,5,6,7-tetrahydro-imidazo[4,5-f]indol-2-yl)-1H-indazole-5-carboxylic acid
  参考文献：
  名称：

  WO2007/107346

  摘要：

  公开号：
• 作为产物：
  描述：

  溴乙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以87%的产率得到1-ethyl-3,3-dimethyl-6-nitroindol-2-one
  参考文献：
  名称：

  Aminopyrazole derivatives

  摘要：

  本发明涉及式I的化合物：它们的药学上可接受的盐或酯、对映体形式、非对映异构体和消旋体，上述化合物的制备，含有它们的药物组合物以及其制造，以及在控制或预防癌症等疾病中使用这种化合物。

  公开号：

  US20060235065A1

文献信息

• Tricyclic heterocycles
  申请人：Georges Guy

  公开号：US20060142247A1

  公开（公告）日：2006-06-29

  The present invention relates to the compounds of formula I their pharmaceutically acceptable salts or esters, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing such compounds and their manufacture, as well as the use of such compounds in the control or prevention of illnesses such as cancer.

  本发明涉及公式I的化合物及其药用盐或酯、对映体形式、二对映异构体和消旋体，上述化合物的制备，含有这种化合物的药物组合物及其制备，以及这种化合物在控制或预防癌症等疾病中的应用。
• Tricycles, their manufacture and use as pharmaceutical agents
  申请人：Guy Georges

  公开号：US20060069145A1

  公开（公告）日：2006-03-30

  The present invention relates to compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明涉及公式I化合物及其药用可接受的盐、对映体形式、非对映异构体和混合物，上述化合物的制备，含有它们的药物以及其制造，以及上述化合物在控制或预防癌症等疾病中的用途。
• Tricyclic azole derivatives
  申请人：Georges Guy

  公开号：US20060235013A1

  公开（公告）日：2006-10-19

  The present invention relates to the compounds of formula I: their pharmaceutically acceptable salts or esters, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of such compounds in the control or prevention of illnesses such as cancer.

  本发明涉及公式I的化合物：它们的药用盐或酯、对映体形式、二对映异构体和消旋体，上述化合物的制备，含有它们的药物组合物及其制备，以及这些化合物在控制或预防癌症等疾病中的应用。
• SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  申请人：Georges Guy

  公开号：US20090291968A1

  公开（公告）日：2009-11-26

  Objects of the present invention are the compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式I化合物及其药物可接受的盐、对映体、非对映异构体和混合物，上述化合物的制备、含有它们的药物以及它们的制造，以及上述化合物在控制或预防癌症等疾病方面的应用。
• A Pentacyclic Aurora Kinase Inhibitor (AKI-001) with High in Vivo Potency and Oral Bioavailability
  作者：Thomas E. Rawson、Matthias Rüth、Elizabeth Blackwood、Dan Burdick、Laura Corson、Jenna Dotson、Jason Drummond、Carter Fields、Guy J. Georges、Bernhard Goller、Jason Halladay、Thomas Hunsaker、Tracy Kleinheinz、Hans-Willi Krell、Jun Li、Jun Liang、Anja Limberg、Angela McNutt、John Moffat、Gail Phillips、Yingqing Ran、Brian Safina、Mark Ultsch、Leslie Walker、Christian Wiesmann、Birong Zhang、Aihe Zhou、Bing-Yan Zhu、Petra Rüger、Andrea G. Cochran

  DOI：10.1021/jm800052b

  日期：2008.8.1

  Aurora kinase inhibitors have attracted a great deal of interest as a new class of antimitotic agents. We report a novel class of Aurora inhibitors based on a pentacyclic scaffold. A prototype pentacyclic inhibitor 32 (AKI-001) derived from two early lead structures improves upon the best properties of each parent and compares favorably to a previously reported Aurora inhibitor, 39 (VX-680). The inhibitor exhibits low nanomolar potency against both Aurora A and Aurora B enzymes, excellent cellular potency (IC50 < 100 nM), and good oral bioavailability. Phenotypic cellular assays show that both Aurora A and Aurora B are inhibited at inhibitor concentrations sufficient to block proliferation. Importantly, the cellular activity translates to potent inhibition of tumor growth in vivo. An oral dose of 5 mg/kg QD is well tolerated and results in near stasis (92% TGI) in an HCT116 mouse xenograft model.