1-methoxy-2-methyl-1-penten-3-one | 74074-59-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methoxy-2-methyl-1-penten-3-one
• 英文别名: 1-methoxy-2-methyl-pent-1-en-3-one；1-Methoxy-2-methyl-pent-1-en-3-on；1-Methoxy-2-methylpent-1-en-3-one
• CAS: 74074-59-2
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: AIFFWMXMBCHYFL-UHFFFAOYSA-N

物化性质

• 沸点：
  191.3±23.0 °C(Predicted)
• 密度：
  0.909±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-methoxy-2-methyl-1-penten-3-one 、 trimethylsilyl trifluoromethanesulfonate 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以90%的产率得到(1E,3Z)-1-甲氧基-2-甲基-3-(三甲基硅氧基)-1,3-戊二烯
  参考文献：
  名称：

  [EN] MIGRASTATIN ANALOGS IN THE TREATMENT OF CANCER
  [FR] ANALOGUES DE MIGRASTATINE UTILISES DANS LE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2006001967A3
• 作为产物：
  描述：

  1,1-dimethoxy-2-methyl-pentan-3-one 在 甲醇 、 sodium methylate 作用下， 生成 1-methoxy-2-methyl-1-penten-3-one
  参考文献：
  名称：

  Hydroxymethylene Ketones. III. The Preparation of Methoxymethylene Ketones¹

  摘要：

  DOI：

  10.1021/ja01640a062

文献信息

• [EN] MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSITIONS DE SUBSTANCES ANALOGUES A LA MIGRASTATINE ET LEURS UTILISATIONS
  申请人：CORNELL RES FOUNDATION INC

  公开号：WO2004087672A1

  公开（公告）日：2004-10-14

  In one aspect, the present invention provides pharmaceutical compositions comprising a therapeutically effective amount of a compound of general formula (I), wherein R1-R6, Ra-RC, Q, Y1, Y2 and n are as defined herein, whereby the composition is formulated for administration to a subject at a dosage between about 0.1 mg/kg to about 50 mg/kg of body weight. In another aspect, the present invention provides a method for treating breast tumor metastasis in a subject comprising administering to a subject in need thereof a therapeutically effective amount of the inventive composition described directly above and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  在一方面，本发明提供了包含式(I)化合物的治疗有效量的药物组合物，其中R1-R6，Ra-RC，Q，Y1，Y2和n如本文所述定义，该组合物为用于向受试者给药而配制成，剂量为约0.1 mg/kg至约50 mg/kg体重。在另一方面，本发明提供了一种治疗受试者乳腺癌转移的方法，包括向需要治疗的受试者给药治疗有效量的上述创新组合物以及药用可接受载体、佐剂或车辆。
• Migrastatin analogs in the treatment of cancer
  申请人：Danishefsky Samuel J.

  公开号：US20090124662A1

  公开（公告）日：2009-05-14

  In one aspect, the present invention provides a method for treating colon and/or ovarian cancer in a subject comprising administering to a subject in need thereof a compound of general formula (I): wherein R1-R6, R, -R, Q, Y1, Y2 and n are as defined herein, wherein the compound is present in an amount effective to inhibit colon and/or ovarian tumor metastasis.

  本发明在某一方面提供了一种治疗结肠和/或卵巢癌的方法，包括向需要该治疗的受试者施用一种通式(I)的化合物：其中R1-R6，R，-R，Q，Y1，Y2和n如本文所定义，在该化合物以有效量存在的情况下，以抑制结肠和/或卵巢肿瘤的转移。
• Migrastatin analogs and uses thereof
  申请人：Huang Xin-Yun

  公开号：US20070037783A1

  公开（公告）日：2007-02-15

  In one aspect, the present invention provides pharmaceutical compositions comprising a therapeutically effective amount of a compound of general formula (I), wherein R 1 —R 6 , R a—R C , Q, Y 1 , Y 2 and n are as defined herein, whereby the composition is formulated for administration to a subject at a dosage between about 0.1 mg/kg to about 50 mg/kg of body weight. In another aspect, the present invention provides a method for treating breast tumor metastasis in a subject comprising administering to a subject in need thereof a therapeutically effective amount of the inventive composition described directly above and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  在一个方面，本发明提供了制剂，包括通式（I）中化合物的治疗有效量，其中R1-R6，Ra-RC，Q，Y1，Y2和n的定义如本文所述，该制剂被制成适用于给予受试者剂量在0.1毫克/千克到50毫克/千克的体重之间。在另一个方面，本发明提供了一种治疗乳腺肿瘤转移的方法，包括向需要治疗的受试者直接上述描述的创新制剂和药学上可接受的载体、佐剂或载体的治疗有效量的给药。
• MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF
  申请人：Huang Xin-Yun

  公开号：US20110263653A1

  公开（公告）日：2011-10-27

  In one aspect, the present invention provides pharmaceutical compositions comprising a therapeutically effective amount of a compound of general formula (I), wherein R 1 -R 6 , R a -R c , Q, Y 1 , Y 2 and n are as defined herein, whereby the composition is formulated for administration to a subject at a dosage between about 0.1 mg/kg to about 50 mg/kg of body weight. In another aspect, the present invention provides a method for treating breast tumor metastasis in a subject comprising administering to a subject in need thereof a therapeutically effective amount of the inventive composition described directly above and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  在一个方面，本发明提供了药物组合物，包括通式（I）的化合物的治疗有效量，其中R1-R6、Ra-Rc、Q、Y1、Y2和n的定义如本文所述，该组合物制剂适用于以剂量在0.1毫克/千克到50毫克/千克体重之间的范围内向受试者施用。 在另一个方面，本发明提供了一种治疗乳腺肿瘤转移的方法，包括向需要治疗的受试者直接施用上述创新组合物的治疗有效量和药学上可接受的载体、辅料或载药剂。
• MIGRASTATIN ANALOGS AND USES THEREOF
  申请人：Danishefsky Samuel J.

  公开号：US20110281916A1

  公开（公告）日：2011-11-17

  The present invention provides compounds having formula (I): and additionally provides methods for the synthesis thereof, compositions thereof, and methods for the use thereof in the treatment of various disorders including cancer, metastasis and disorders involving increased angiogenesis, wherein R 1 -R 6 , R a -R c , Q, Y 1 , Y 2 and n are as defined herein.

  本发明提供具有式(I)的化合物，以及提供其合成方法、组成物和在治疗各种疾病包括癌症、转移和涉及增加血管生成的疾病中使用的方法，其中R1-R6、Ra-Rc、Q、Y1、Y2和n的定义如本文所述。