Bz(-2)[Bz(-4)]Rha3Me-O-C(NH)CCl3 | 536992-35-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Bz(-2)[Bz(-4)]Rha3Me-O-C(NH)CCl3
• 英文别名: [(2S,3S,4R,5R)-5-benzoyloxy-4-methoxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] benzoate
• CAS: 536992-35-5
• 化学式: C₂₃H₂₂Cl₃NO₇
• 分子量: 530.789
• InChiKey: HOJVQFYNEGKYBL-RIFJXLSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Bz(-2)[Bz(-4)]Rha3Me-O-C(NH)CCl3 在 三氟甲磺酸三甲基硅酯 、 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of monomethylated dioscin derivatives and their antitumor activities

  摘要：

  All possible eight monomethylated dioscin derivatives (1-8) were synthesized. Their inhibitory activities against P388 and A-549 cells were determined, and the results indicate that six of the eight hydroxyls of dioscin are the 'key polar groupings' for tumor inhibitory activities. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(02)00443-3
• 作为产物：
  描述：

  allyl 4-O-benzoyl-α-L-rhamnopyranoside 在 吡啶 、 二正丁基氧化锡 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 palladium dichloride 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 Bz(-2)[Bz(-4)]Rha3Me-O-C(NH)CCl3
  参考文献：
  名称：

  Synthesis of monomethylated dioscin derivatives and their antitumor activities

  摘要：

  All possible eight monomethylated dioscin derivatives (1-8) were synthesized. Their inhibitory activities against P388 and A-549 cells were determined, and the results indicate that six of the eight hydroxyls of dioscin are the 'key polar groupings' for tumor inhibitory activities. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(02)00443-3

文献信息

• Synthesis of monomethylated dioscin derivatives and their antitumor activities
  作者：Ming Li、Xiuwen Han、Biao Yu

  DOI：10.1016/s0008-6215(02)00443-3

  日期：2003.1

  All possible eight monomethylated dioscin derivatives (1-8) were synthesized. Their inhibitory activities against P388 and A-549 cells were determined, and the results indicate that six of the eight hydroxyls of dioscin are the 'key polar groupings' for tumor inhibitory activities. (C) 2002 Elsevier Science Ltd. All rights reserved.