| 219296-04-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 219296-04-5
• 化学式: C₄₁H₆₇N₉O₁₆S
• 分子量: 974.1
• InChiKey: FXPMVBVPVDRZGZ-KXGVGCEHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.08
• 重原子数：
  67.0
• 可旋转键数：
  26.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  349.86
• 氢给体数：
  11.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  Preparation of biotinylated allosamidins with strong chitinase inhibitory activities

  摘要：

  NaIO4 oxidation of allosamidin (1), a strong inhibitor of family 18 chitinases, followed by a coupling with Biotin Hydrazide(R) afforded its mono- and dibiotinylated derivatives, 4 and 6. Reduction of 4 by NaBH4 afforded its reduced form 5. Each of these three biotinylated derivatives maintained strong chitinase inhibitory activity. Especially, 6 inhibited a Trichoderma chitinase as strongly as 1. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00542-3
• 作为产物：
  描述：

  阿洛氨菌素 在 sodium periodate 、 sodium acetate 、 溶剂黄146 作用下， 反应 6.0h， 生成
  参考文献：
  名称：

  Preparation of biotinylated allosamidins with strong chitinase inhibitory activities

  摘要：

  NaIO4 oxidation of allosamidin (1), a strong inhibitor of family 18 chitinases, followed by a coupling with Biotin Hydrazide(R) afforded its mono- and dibiotinylated derivatives, 4 and 6. Reduction of 4 by NaBH4 afforded its reduced form 5. Each of these three biotinylated derivatives maintained strong chitinase inhibitory activity. Especially, 6 inhibited a Trichoderma chitinase as strongly as 1. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00542-3