methyl 2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enoate | 565190-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enoate
• CAS: 565190-75-2
• 化学式: C₁₅H₁₃ClO₂
• 分子量: 260.72
• InChiKey: JZOSDVPZWALRDZ-UVTDQMKNSA-N

物化性质

• 沸点：
  381.4±22.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyl 2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enoate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 (Z)-2-Chloro-3-naphthalen-2-yl-but-2-enoic acid
  参考文献：
  名称：

  Inhibition of telomerase by BIBR 1532 and related analogues

  摘要：

  BIBR 1532 has been reported to be a potent, small molecule inhibitor of human telomerase, suggesting it as a lead for the development of anti-telomerase therapy. We confirm the ability of BIBR 1532 to inhibit telomerase and report the discovery of an equally potent analogue. Importantly, IC50 values in cell extract are considerably higher than those previously reported using assays for purified enzyme, indicating that substantial improvement may be necessary. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00101-x
• 作为产物：
  描述：

  三氯乙酸甲酯 、 2-萘乙酮 在 chromium dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 methyl 2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enoate
  参考文献：
  名称：

  Inhibition of telomerase by BIBR 1532 and related analogues

  摘要：

  BIBR 1532 has been reported to be a potent, small molecule inhibitor of human telomerase, suggesting it as a lead for the development of anti-telomerase therapy. We confirm the ability of BIBR 1532 to inhibit telomerase and report the discovery of an equally potent analogue. Importantly, IC50 values in cell extract are considerably higher than those previously reported using assays for purified enzyme, indicating that substantial improvement may be necessary. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00101-x