N-(4-氧代-2-硫氧代-噻唑啉-3-基)-乙酰胺 | 21633-59-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: N-(4-氧代-2-硫氧代-噻唑啉-3-基)-乙酰胺
• 英文名称: 3-acetylamino-2-thioxo-thiazolidin-4-one
• 英文别名: N-(4-oxo-2-thioxo-thiazolidin-3-yl)-acetamide；N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-acetamid；N-Acetylaminorhodanine；N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
• CAS: 21633-59-0
• 化学式: C₅H₆N₂O₂S₂
• mdl: MFCD00022548
• 分子量: 190.247
• InChiKey: CHEDTZNVMMEMLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  N-(4-氧代-2-硫氧代-噻唑啉-3-基)-乙酰胺 在 tetraphosphorus decasulfide 作用下， 以 甲苯 为溶剂， 生成 2-methyl-5-methylsulfanyl-thiazolo[4,3-b][1,3,4]thiadiazolylium; iodide
  参考文献：
  名称：

  Synthesis and reaction of Thiazolo[4,3,-b]1,3,4-thiadiazole-5-thoine derivatives

  摘要：

  DOI：

  10.1007/bf00742448
• 作为产物：
  描述：

  N-氨基绕丹宁 、 乙酰氯 生成 N-(4-氧代-2-硫氧代-噻唑啉-3-基)-乙酰胺
  参考文献：
  名称：

  Ueda et al., Nippon Kagaku Zasshi, 1956, vol. 77, p. 385,388

  摘要：

  DOI：

文献信息

• Synthesis of 3-aminorhodanine derivatives as aldose reductase inhibitors
  作者：Wolfgang Hanefeld、Martin Schlitzer

  DOI：10.1002/jhet.5570320358

  日期：1995.5

  A number of 5-condensated 3-acylaminorhodanines 3 was prepared as potential inhibitors of the aldose reductase by acylation of the amino group of 3-aminorhodanine 1 and subsequent condensation of the 5-methylene function with appropriate aldehydes. Some of these compounds displayed interesting activity.

  许多5-缩合3- acylaminorhodanines 3制备由氨基-3- aminorhodanine的酰化醛糖还原酶的潜在抑制剂1，用适当的醛5-亚甲基函数的随后的缩合。这些化合物中的一些显示出有趣的活性。
• Nederlof,A., Recueil des Travaux Chimiques des Pays-Bas, 1963, vol. 82, p. 75 - 89
  作者：Nederlof,A.

  DOI：——

  日期：——
• Exploration of inhibitors for diaminopimelate aminotransferase
  作者：Chenguang Fan、Matthew D. Clay、Michael K. Deyholos、John C. Vederas

  DOI：10.1016/j.bmc.2010.02.001

  日期：2010.3

  Bacteria and higher plants make L-lysine from diaminopimelic acid (DAP). In mammals L-lysine is an essential amino acid that must be acquired from the diet as the biosynthetic pathway is absent for this key constituent of proteins. Recently, LL-diaminopimelate aminotransferase (LL-DAP-AT), a pyridoxal-5'-phosphate (PLP)-dependent enzyme, was reported to catalyze a key step in the route to L-lysine in plants and Chlamydia. Specific inhibitors of this enzyme could thus potentially serve as herbicides or antibiotics that are non-toxic to mammals. In this work, 29,201 inhibitors were screened against LL-DAP-AT and the IC50 values were determined for the top 46 compounds. An aryl hydrazide and rhodanine derivatives were further modified to generate 20 analogues that were also tested against LL-DAP-AT. These analogues provide additional structure-activity relationships (SAR) that are useful in guiding further design of inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.
• Ueda; Ohta, Nippon Kagaku Zasshi, 1956, vol. 77, p. 1520,1523
  作者：Ueda、Ohta

  DOI：——

  日期：——
• SYCH E. D.; MIKITENKO E. K.; KORNILOV M. YU., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1976, HO 6, 778-782
  作者：SYCH E. D.、 MIKITENKO E. K.、 KORNILOV M. YU.

  DOI：——

  日期：——