N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(1-thietan-2-ylidene-ethyl)-formamide | 497-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(1-thietan-2-ylidene-ethyl)-formamide
• 英文别名: N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-[1-(thietan-2-ylidene)-ethyl]-formamide；N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-[1-(thietan-2-ylidene)-ethyl]-formamide；N-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-N-[1-((Z)-thietan-2-yliden)-aethyl]-formamid；Thiaminanhydrid (5-(N-Formyl-N-(1--aethyl)-aminomethyl)-2-methyl-4-amino-pyrimidin)；N-<1-(2-Thia-cyclobutyliden)-ethyl>-N-(2-methyl-4-amino-5-pyrimidinyl-methyl)-formamid；Thiaminanhydrid
• CAS: 497-85-8；31983-37-6
• 化学式: C₁₂H₁₆N₄OS
• 分子量: 264.351
• InChiKey: QVEOJZFVMYHCGF-FLIBITNWSA-N

物化性质

• 沸点：
  503.7±50.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)
• 熔点：
  166-168 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.11
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(1-thietan-2-ylidene-ethyl)-formamide 在 盐酸 、 potassium permanganate 、 水 作用下， 生成 (4-amino-2-methyl-pyrimidin-5-ylmethyl)-[1-((Z)-1,1-dioxo-1λ⁶-thietan-2-yliden)-ethyl]-amine
  参考文献：
  名称：

  Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 1128,1132

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸硫胺 在 sodium hydroxide 、 水 作用下， 生成 N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(1-thietan-2-ylidene-ethyl)-formamide
  参考文献：
  名称：

  Kasahara, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 1133,1135

  摘要：

  DOI：

文献信息

• Comparison of efficacy of ciprofloxacin and doxycycline against experimental melioidosis and glanders
  作者：P. Russell、S. M. Eley、J. Ellis、M. Green、D. L. Bell、D. J. Kenny、R. W. Titball

  DOI：10.1093/jac/45.6.813

  日期：2000.6.1

  Melioidosis and glanders are caused by the closely related species Burkholderia pseudomallei and Burkholderia mallei, respectively. Whereas melioidosis is a significant cause of morbidity in south-east Asia, glanders is extremely rare. The efficacies of ciprofloxacin and doxycycline were assessed against a strain of B. pseudomallei and a strain of B. mallei which were susceptible to both antimicrobials in vitro. Porton outbred mice and Syrian hamsters were given 40 mg/kg of either doxycycline or ciprofloxacin twice daily by sc injection according to one of three regimens: dosing starting 48 h before challenge and continuing for 5 days postchallenge; 5 days' therapy starting immediately after challenge; 5 days' therapy starting 24 h after challenge. Mice were challenged ip with B. pseudomallei 4845 and hamsters were challenged ip with B. mallei 23344. Antimicrobial efficacy was determined by the shift in the median lethal dose (MLD). Ciprofloxacin prophylaxis and immediate therapy both raised the MLD of B. pseudomallei to 4 × 106 cfu from 19 cfu in untreated animals, but therapeutic ciprofloxacin only raised the MLD to 180 cfu. The results for doxycycline were similar. Ciprofloxacin prophylaxis raised the MLD of B. mallei 23344 to 4.6 × 105 cfu compared with 4 cfu in untreated controls. Immediate therapy raised the MLD to 7.0 × 104 cfu and therapy raised the MLD to 1.6 × 103 cfu. All regimens of doxycycline protected hamsters against challenges of up to 2 × 107 cfu. Despite using a susceptible strain of B. pseudomallei, neither antimicrobial was effective when used therapeutically. The timely administration of either antimicrobial, however, was effective in preventing symptomatic infection. Doxycycline was the superior of the two antimicrobials against experimental glanders although relapse did occur in treated animals approximately 4–5 weeks after challenge.

  二者皆为优势。
• 含硫类化合物、其药物组合物及应用
  申请人：上海日馨医药科技股份有限公司

  公开号：CN117417301A

  公开（公告）日：2024-01-19

  本发明公开了一种含硫类化合物、其药物组合物及应用。本发明提供了一种物质A在制备Aβ40和/或Aβ42蛋白抑制剂或药物中的应用；所述的药物为用于治疗和/或由Aβ40和/或Aβ42蛋白介导的疾病的药物或者用于治疗和/或预防神经退行性疾病或衰老的药物，所述的物质A选自如式A1等所示的化合物或其药学上可接受的盐。本发明的化合物，对Aβ40及Aβ42蛋白具有良好的抑制作用，有望治疗和/或预防神经退行性疾病或衰老药物。#imgabs0#
• Kawasaki; Tomita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 1160,1162
  作者：Kawasaki、Tomita

  DOI：——

  日期：——
• Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 143,149
  作者：Yonemoto

  DOI：——

  日期：——
• Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 1391,1394
  作者：Yonemoto

  DOI：——

  日期：——