6-氨基-2-己酮 | 26342-06-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-氨基-2-己酮
• 英文名称: 6-amino-hexan-2-one
• 英文别名: 6-Amino-hexan-2-on；6-Aminohexan-2-one
• CAS: 26342-06-3
• 化学式: C₆H₁₃NO
• 分子量: 115.175
• InChiKey: HDLUVUAAPJKOBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-氨基-2-己酮 以6%的产率得到
  参考文献：
  名称：

  Posner Gary H., Cho Cheon-Gyu, Green Julianne V., Zhang Yuesheng, Talalay+, J. Med. Chem, 37 (1994) N 1, S 170-176

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Boc-2-哌啶酮 在 盐酸 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 3.5h， 生成 6-氨基-2-己酮
  参考文献：
  名称：

  Design and synthesis of bifunctional isothiocyanate analogs of sulforaphane: correlation between structure and potency as inducers of anticarcinogenic detoxication enzymes

  摘要：

  Thirty-five bifunctional isothiocyanates were synthesized as structural analogs of sulforaphane [(-)-l-isothiocyanato-4(R)-(methylsulfinyl)butane] that was recently isolated from broccoli as the principal and very potent inducer of detoxication (phase 2) enzymes in mouse tissues and murine hepatoma cells (Hepa 1c1c7) in culture (Zhang, Y.; Talalay, P.; Cho, C.-G.; Posner, G. Il. Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 2399-2403). Determination of the potency of each analog in inducing NAD(P)H:quinone reductase, a phase 2 detoxication enzyme, has allowed generalizations concerning the relation of structure and activity. The most potent analogs were bifunctional derivatives in which the isothiocyanate group was separated from a methylsulfonyl or an acetyl group by three or four carbon atoms, and in some of which these groups were conformationally restricted. Among these analogs, the bicyclic ketoisothiocyanate (+/-)-exo-2-acetyl-6-isothiocyanatonorbornane (30) was a very potent inducer (comparable to sulforaphane) of quinone reductase in hepatoma cells, and it also induced both quinone reductase and glutathione transferases in several mouse organs in vivo. This and related bicyclic ketoisothiocyanates represent potent phase 2 enzyme inducers that are relatively easily synthesized and that may be more stable metabolically than the natural sulfoxide sulforaphane.

  DOI：

  10.1021/jm00027a021

文献信息

• [EN] SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY<br/>[FR] DÉRIVÉS DE 1,3,4-THIADIAZOLE SPIRO-CONDENSÉS POUR INHIBER L'ACTIVITÉ DE LA KINÉSINE KSP
  申请人：SCHERING CORP

  公开号：WO2009052288A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of Formula (I), below, (wherein X, R1, R2, R3, p, E, ring A, and ring B are as defined herein). The present invention also relates to compositions (including pharmaceutically acceptable compositions) comprising these compounds, alone and in combination with one or more additional therapeutic agents, and to methods for their use in inhibiting KSP kinesin activity, and for treating cellular proliferative diseases or disorders associated with KSP kinesin activity. Formula I [Chemical formula should be inserted here as it appears on abstract in paper form.]

  本发明涉及以下式（I）的化合物（其中X、R1、R2、R3、p、E、环A和环B的定义如本文所述）。本发明还涉及包括这些化合物的组合物（包括药学上可接受的组合物），单独或与一个或多个额外治疗剂的组合物，并且涉及它们在抑制KSP动力蛋白活性以及治疗与KSP动力蛋白活性相关的细胞增殖性疾病或紊乱的用途的方法。Formula I [化学式应按照纸质形式中的摘要插入在此处。]
• [EN] HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES, MÉDICAMENTS CONTENANT LESDITS COMPOSÉS, LEUR UTILISATION ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013064450A1

  公开（公告）日：2013-05-10

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式(I)的化合物，其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道的抑制作用，以及其用于治疗疾病，特别是肺部和呼吸道疾病的用途。
• [EN] SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS<br/>[FR] DÉRIVÉS DE SPIRO 1,3,4-THIADIAZOLINE INHIBITEURS DE KSP
  申请人：SCHERING CORP

  公开号：WO2010132520A1

  公开（公告）日：2010-11-18

  The present invention relates to compounds of Formula (I), below, (wherein X, R1, R2, R3, p, ring A, and ring B are as defined herein). The present invention also relates to compositions (including pharmaceutically acceptable compositions) comprising these compounds, alone and in combination with one or more additional therapeutic agents, and to methods for their use in inhibiting KSP kinesin activity, and for treating cellular proliferative diseases or disorders associated with KSP kinesin activity.

  本发明涉及下式（I）的化合物（其中X、R1、R2、R3、p、环A和环B的定义如本文所述）。本发明还涉及包括这些化合物的组合物（包括药用组合物），单独或与一个或多个额外治疗剂结合使用的方法，以及用于抑制KSP肌动蛋白活性和治疗与KSP肌动蛋白活性相关的细胞增殖性疾病或疾病的方法。
• AMINOTHIAZOLES AND THEIR USES
  申请人：Bushell Simon

  公开号：US20140315790A1

  公开（公告）日：2014-10-23

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of diseases.

  本申请描述了对治疗、预防和/或改善疾病有用的有机化合物。
• HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：HECKEL Armin

  公开号：US20130109697A1

  公开（公告）日：2013-05-02

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, and the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式（I）的化合物及其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道具有抑制作用，并且用于治疗疾病，特别是肺部和呼吸道疾病。