Diphenylmethyl [2E,4R/S,5S/R,7R,(2'R,3'R)]-4,5-epoxy-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundec-2-enoate | 247166-81-0

• 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: Diphenylmethyl [2E,4R/S,5S/R,7R,(2'R,3'R)]-4,5-epoxy-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundec-2-enoate
• 英文别名: benzhydryl (E)-3-[3-[(2R)-6-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-2-methylhexyl]-3-methyloxiran-2-yl]but-2-enoate
• CAS: 247166-81-0
• 化学式: C₃₁H₃₈O₆
• 分子量: 506.639
• InChiKey: LCKPPFLPUVZTSH-AXBSCOOISA-N

物化性质

• 沸点：
  639.9±45.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  85.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Diphenylmethyl [2E,4R/S,5S/R,7R,(2'R,3'R)]-4,5-epoxy-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundec-2-enoate 在 samarium diiodide 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 0.08h， 以40%的产率得到Diphenylmethyl [2E,4E,7R,(2'R,3'R)]-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundeca-2,4-dienoate
  参考文献：
  名称：

  Bates, Roderick W.; Fernandez-Megia, Eduardo; Ley, Steven V., Journal of the Chemical Society. Perkin transactions I, 1999, # 14, p. 1917 - 1925

  摘要：

  DOI：
• 作为产物：
  描述：

  (7R)-7-Methyl-8-(tetrahydro-2H-pyran-2-yloxy)oct-1-ene 在 双(乙腈)氯化钯(II) titanium(IV) isopropylate 、 叔丁基过氧化氢 、 N-甲基吲哚酮 、 四丙基高钌酸铵 、 二氯二茂锆 、 18-冠醚-6 、 L-(+)-酒石酸二异丙酯 、 4 A molecular sieve 、 四丁基氟化铵 、 水 、 双(三甲基硅烷基)氨基钾 、 二异丁基氢化铝 、 potassium carbonate 、 臭氧 、 溶剂黄146 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 异辛烷 、 正己烷 、 二氯甲烷 、 二甲基亚砜 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 239.95h， 生成 Diphenylmethyl [2E,4R/S,5S/R,7R,(2'R,3'R)]-4,5-epoxy-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundec-2-enoate
  参考文献：
  名称：

  Bates, Roderick W.; Fernandez-Megia, Eduardo; Ley, Steven V., Journal of the Chemical Society. Perkin transactions I, 1999, # 14, p. 1917 - 1925

  摘要：

  DOI：

文献信息

• Novel method for the asymmetric synthesis of beta-lactone compounds
  申请人：Smith W. Jeffrey

  公开号：US20060258620A1

  公开（公告）日：2006-11-16

  The present invention features methods of treating a cancer in a subject by administering an effective amount of a beta-lactone to the subject. The invention also features methods of inhibiting angiogenesis in a subject by administering an effective amount of an inhibitor of fatty acid synthase to the subject. These methods can be used to treat a variety of cancers and other diseases and conditions. The invention also features methods of identifying beta-lactones and other compounds that can be used in the methods of the invention for the treatment of tumors, inhibition of angiogenesis, and the treatment of diseases and conditions that involve pathological angiogenesis. The invention also features methods of synthesizing beta-lactones and features novel beta-lactone compounds.

  本发明涉及通过向患者施用有效量的β-内酰胺来治疗患者身上的癌症的方法。本发明还涉及通过向患者施用脂肪酸合成酶抑制剂的有效量来抑制患者身上的血管生成的方法。这些方法可以用于治疗各种癌症和其他疾病和病况。本发明还涉及识别β-内酰胺和其他化合物的方法，这些化合物可以用于本发明中用于治疗肿瘤、抑制血管生成以及治疗涉及病理性血管生成的疾病和病况的方法。本发明还涉及合成β-内酰胺的方法和新型β-内酰胺化合物的特点。
• NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS
  申请人：Smith Jeffrey W.

  公开号：US20100173982A1

  公开（公告）日：2010-07-08

  The present invention features methods of treating a cancer in a subject by administering an effective amount of a beta-lactone to the subject. The invention also features methods of inhibiting angiogenesis in a subject by administering an effective amount of an inhibitor of fatty acid synthase to the subject. These methods can be used to treat a variety of cancers and other diseases and conditions. The invention also features methods of identifying beta-lactones and other compounds that can be used in the methods of the invention for the treatment of tumors, inhibition of angiogenesis, and the treatment of diseases and conditions that involve pathological angiogenesis. The invention also features methods of synthesizing beta-lactones and features novel beta-lactone compounds.

  本发明涉及通过向受试者施用有效量的β-内酰胺来治疗癌症的方法。本发明还涉及通过向受试者施用脂肪酸合成酶抑制剂的有效量来抑制血管生成的方法。这些方法可用于治疗各种癌症和其他疾病和病况。本发明还涉及识别β-内酰胺和其他化合物的方法，这些化合物可用于本发明的治疗肿瘤、抑制血管生成以及涉及病理性血管生成的疾病和病况的方法。本发明还涉及β-内酰胺的合成方法和新型β-内酰胺化合物。
• Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation
  申请人：——

  公开号：US20040024050A1

  公开（公告）日：2004-02-05

  The present invention features methods of treating a cancer in a subject by administering an effective amount of a beta-lactone to the subject. The invention also features methods of inhibiting angiogenesis in a subject by administering an effective amount of an inhibitor of fatty acid synthase to the subject. These methods can be used to treat a variety of cancers and other diseases and conditions. The invention also features methods of identifying beta-lactones and other compounds that can be used in the methods of the invention for the treatment of tumors, inhibition of angiogenesis, and the treatment of diseases and conditions that involve pathological angiogenesis.
• US7728153B2
  申请人：——

  公开号：US7728153B2

  公开（公告）日：2010-06-01
• US7799826B2
  申请人：——

  公开号：US7799826B2

  公开（公告）日：2010-09-21