2-(3-thiosemicarbazido)carbonylamino-[1,3,4]thiadiazino[6,5-b]indole | 1093741-99-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(3-thiosemicarbazido)carbonylamino-[1,3,4]thiadiazino[6,5-b]indole
• 英文别名: [[2-([1,3,4]thiadiazino[6,5-b]indol-3-ylamino)acetyl]amino]thiourea
• CAS: 1093741-99-1
• 化学式: C₁₂H₁₁N₇OS₂
• 分子量: 333.398
• InChiKey: FUYXYJCKGVPZGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  117.85
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-(3-thiosemicarbazido)carbonylamino-[1,3,4]thiadiazino[6,5-b]indole 在 硫酸 作用下， 以60%的产率得到2-(5'-amino-[1,3,4]thiadiazol-2'-yl-methylamino)-[1,3,4]thiadiazino[6,5-b]indole
  参考文献：
  名称：

  Synthesis of new substituted azetidinoyl and thiazolidinoyl-1,3,4-thiadiazino (6,5-b) indoles as promising anti-inflammatory agents

  摘要：

  Various N-({5-[(arylmethylene)amino]-1,3,4-thiadiazol-2-yl}methyl) [1,3,4] thiadiazino[6,5-b]indol-3-amine (6a-6h), 2-aryl-3-{5-[{[1,3,4] thiadiazino[6,5- b]indol-3-ylamino}methyl]-1,3,4-thiadiazol-2-yl}-1,3-thiazolidin-4-one (7a-7h), and 3-chloro-4-aryl-l-{5-[{[1,3,4]thiadiazino[6,5-b]indol-3-ylamino]methyl]- 1,3,4-thiadiazol-2-yl}azetidin-2-one (8a-8h) have been synthesized in the present study. The structure of these newly synthesized compounds were confirmed by their analytical and spectral data. These compounds were also evaluated for their anti-inflammatory, ulcerogenic and analgesic activities. Compound 8g has shown most active anti-inflammatory and analgesic activities with better ulcerogenic activity than phenylbutazone, while this compound was found to be associated with lesser degree of anti-inflammatory and analgesic activities as compared to indomethacin. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.012
• 作为产物：
  描述：

  2-ethoxycarbonylamino-[1,3,4]thiadiazino[6,5-b]indole 、 氨基硫脲 以 甲醇 为溶剂， 反应 10.0h， 以64%的产率得到2-(3-thiosemicarbazido)carbonylamino-[1,3,4]thiadiazino[6,5-b]indole
  参考文献：
  名称：

  Synthesis of new substituted azetidinoyl and thiazolidinoyl-1,3,4-thiadiazino (6,5-b) indoles as promising anti-inflammatory agents

  摘要：

  Various N-({5-[(arylmethylene)amino]-1,3,4-thiadiazol-2-yl}methyl) [1,3,4] thiadiazino[6,5-b]indol-3-amine (6a-6h), 2-aryl-3-{5-[{[1,3,4] thiadiazino[6,5- b]indol-3-ylamino}methyl]-1,3,4-thiadiazol-2-yl}-1,3-thiazolidin-4-one (7a-7h), and 3-chloro-4-aryl-l-{5-[{[1,3,4]thiadiazino[6,5-b]indol-3-ylamino]methyl]- 1,3,4-thiadiazol-2-yl}azetidin-2-one (8a-8h) have been synthesized in the present study. The structure of these newly synthesized compounds were confirmed by their analytical and spectral data. These compounds were also evaluated for their anti-inflammatory, ulcerogenic and analgesic activities. Compound 8g has shown most active anti-inflammatory and analgesic activities with better ulcerogenic activity than phenylbutazone, while this compound was found to be associated with lesser degree of anti-inflammatory and analgesic activities as compared to indomethacin. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.012

文献信息

• Synthesis of new substituted azetidinoyl and thiazolidinoyl-1,3,4-thiadiazino (6,5-b) indoles as promising anti-inflammatory agents
  作者：Sudhir Kumar Bhati、Ashok Kumar

  DOI：10.1016/j.ejmech.2007.10.012

  日期：2008.11

  Various N-(5-[(arylmethylene)amino]-1,3,4-thiadiazol-2-yl}methyl) [1,3,4] thiadiazino[6,5-b]indol-3-amine (6a-6h), 2-aryl-3-5-[[1,3,4] thiadiazino[6,5- b]indol-3-ylamino}methyl]-1,3,4-thiadiazol-2-yl}-1,3-thiazolidin-4-one (7a-7h), and 3-chloro-4-aryl-l-5-[[1,3,4]thiadiazino[6,5-b]indol-3-ylamino]methyl]- 1,3,4-thiadiazol-2-yl}azetidin-2-one (8a-8h) have been synthesized in the present study. The structure of these newly synthesized compounds were confirmed by their analytical and spectral data. These compounds were also evaluated for their anti-inflammatory, ulcerogenic and analgesic activities. Compound 8g has shown most active anti-inflammatory and analgesic activities with better ulcerogenic activity than phenylbutazone, while this compound was found to be associated with lesser degree of anti-inflammatory and analgesic activities as compared to indomethacin. (C) 2007 Elsevier Masson SAS. All rights reserved.