nonyl 3-benzoyldithiocarbazate | 80791-20-4

• 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: nonyl 3-benzoyldithiocarbazate
• 英文别名: N'-Benzoyl-hydrazinecarbodithioic acid nonyl ester；nonyl N-benzamidocarbamodithioate
• CAS: 80791-20-4
• 化学式: C₁₇H₂₆N₂OS₂
• 分子量: 338.538
• InChiKey: JPSCGLUBKHHORN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  98.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nonyl 3-benzoyldithiocarbazate 、 碘甲烷 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以34%的产率得到S-methyl-S'-nonyl N-benzoylcarbonohydrazonodithioate
  参考文献：
  名称：

  Synthesis and structure-activity relationship of nonyl 3-acyldithiocarbazates and related compounds for uncoupling activities

  摘要：

  Various nonyl 3-substituted-dithiocarbazates, methyl and dimethyl derivatives of nonyl 3-benzoyldithiocarbazate, nonyl 2-substituted-dithiocarbamates, and benzaldehyde nonyldithiocarbohydrazone were synthesized and their uncoupling activities of oxidative phosphorylation in mitochondria were examined. The results indicate that the presence of the thiocarbamoyl structure with the potential SH group is a requisite for uncoupling activity. The presence of a C=O group and a hydrophobic aromatic ring significantly increases the uncoupling activity.

  DOI：

  10.1021/jm00347a015
• 作为产物：
  描述：

  二硫化碳 、 1-碘壬烷 、 苯甲酰肼 在 氢氧化钾 作用下， 生成 nonyl 3-benzoyldithiocarbazate
  参考文献：
  名称：

  Synthesis and structure-activity relationship of nonyl 3-acyldithiocarbazates and related compounds for uncoupling activities

  摘要：

  Various nonyl 3-substituted-dithiocarbazates, methyl and dimethyl derivatives of nonyl 3-benzoyldithiocarbazate, nonyl 2-substituted-dithiocarbamates, and benzaldehyde nonyldithiocarbohydrazone were synthesized and their uncoupling activities of oxidative phosphorylation in mitochondria were examined. The results indicate that the presence of the thiocarbamoyl structure with the potential SH group is a requisite for uncoupling activity. The presence of a C=O group and a hydrophobic aromatic ring significantly increases the uncoupling activity.

  DOI：

  10.1021/jm00347a015

文献信息

• UDA, MASAYUKI;TOYOOKA, KOUHEI;HORIE, KISAKO;SHIBUYA, MASAYUKI;KUBOTA, SEI+, J. MED. CHEM., 1982, 25, N 5, 557-560
  作者：UDA, MASAYUKI、TOYOOKA, KOUHEI、HORIE, KISAKO、SHIBUYA, MASAYUKI、KUBOTA, SEI+

  DOI：——

  日期：——
• Synthesis and structure-activity relationship of nonyl 3-acyldithiocarbazates and related compounds for uncoupling activities
  作者：Masayuki Uda、Kouhei Toyooka、Kisako Horie、Masayuki Shibuya、Seiju Kubota、Hiroshi Terada

  DOI：10.1021/jm00347a015

  日期：1982.5

  Various nonyl 3-substituted-dithiocarbazates, methyl and dimethyl derivatives of nonyl 3-benzoyldithiocarbazate, nonyl 2-substituted-dithiocarbamates, and benzaldehyde nonyldithiocarbohydrazone were synthesized and their uncoupling activities of oxidative phosphorylation in mitochondria were examined. The results indicate that the presence of the thiocarbamoyl structure with the potential SH group is a requisite for uncoupling activity. The presence of a C=O group and a hydrophobic aromatic ring significantly increases the uncoupling activity.