(octane-1-sulfonyl)-urea | 98952-48-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (octane-1-sulfonyl)-urea
• 英文别名: (Octan-1-sulfonyl)-harnstoff；Octan-1-sulfonsaeure-ureid；Octylsulfonylurea
• CAS: 98952-48-8
• 化学式: C₉H₂₀N₂O₃S
• 分子量: 236.335
• InChiKey: MMALOWWXUNYNBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-辛烷磺酰胺 、 氯甲酸乙酯 在 potassium carbonate 、 丙酮 作用下， 生成 (octane-1-sulfonyl)-urea
  参考文献：
  名称：

  Cassady et al., Journal of Organic Chemistry, 1958, vol. 23, p. 923,924

  摘要：

  DOI：

文献信息

• A New Class of Antituberculosis Agents
  作者：Paul B. Jones、Nikki M. Parrish、Todd A. Houston、Anthony Stapon、Niharika P. Bansal、James D. Dick、Craig A. Townsend

  DOI：10.1021/jm000149l

  日期：2000.8.1

  Long-chain lipid envelopes are characteristic of mycobacteria such as those that cause tuberculosis and leprosy. Inhibition of fatty acid synthesis or elongation is a strategy demonstrated to be clinically effective against M. tuberculosis. A new class of compounds designed to inhibit the beta-ketoacyl synthase reaction of fatty acid synthesis has been developed. Of >30 compounds described, the most active were acetamides containing alkylsulfonyl substituents. Inhibitory activities were acutely sensitive to net charge, chain length, and degree of unsaturation. The most active compound 5 (alkyl = C-10) contained a single methylene spacer between the sulfone and carboxamide and exhibited an MIC of 0.75-1.5 mu g/mL, comparable to first-line antituberculosis drugs. These compounds are species-specific, exhibiting no significant activity against bacterial species other than M. tuberculosis and closely related strains. The synthesis, biological activity, and specificity of these compounds are described.
• Cassady et al., Journal of Organic Chemistry, 1958, vol. 23, p. 923,924
  作者：Cassady et al.

  DOI：——

  日期：——