methyl (2R)-2-[[2-(4-hydroxyphenyl)-2,2-diphenylacetyl]amino]-3-phenylpropanoate | 1094039-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: methyl (2R)-2-[[2-(4-hydroxyphenyl)-2,2-diphenylacetyl]amino]-3-phenylpropanoate
• CAS: 1094039-12-9
• 化学式: C₃₀H₂₇NO₄
• 分子量: 465.549
• InChiKey: XZMLYFUVHNGFOQ-HHHXNRCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4-hydroxy-phenyl)-diphenyl-acetic acid 、 D-苯丙氨酸甲酯盐酸盐 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以20%的产率得到methyl (2R)-2-[[2-(4-hydroxyphenyl)-2,2-diphenylacetyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  Triphenylmethylamides (TPMAs): Structure–activity relationship of compounds that induce apoptosis in melanoma cells

  摘要：

  Triphenylmethylamides (TPMAs) have been previously identified as compounds that arrest cells in the G1-phase of the cell cycle and induce apoptotic death in melanoma cell lines in culture. Here we report the synthesis of a series of TPMA derivatives, allowing the structure-activity relationship of this class of molecules to be established. Several new compounds have been identified that induce death in UACC-62 and SK-MEL-5 human melanoma cell lines, including a compound with enhanced aqueous solubility. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.128