N-(5-benzyl-[1,3,4]thiadiazol-2-yl)-2,2,2-trifluoro-acetamide | 22926-54-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(5-benzyl-[1,3,4]thiadiazol-2-yl)-2,2,2-trifluoro-acetamide
• 英文别名: 5-Benzyl-2-trifluoracetamino-1,3,4-thiadiazol；N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
• CAS: 22926-54-1
• 化学式: C₁₁H₈F₃N₃OS
• mdl: MFCD02032606
• 分子量: 287.265
• InChiKey: PNSBFUKZEHXFIM-UHFFFAOYSA-N

物化性质

• 密度：
  1.478±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-phenylacetyl-thiosemicarbazide 、 三氟乙酸 在 硫酸 作用下， 生成 N-(5-benzyl-[1,3,4]thiadiazol-2-yl)-2,2,2-trifluoro-acetamide
  参考文献：
  名称：

  Antitumor activity of 5-substituted 2-acylamino-1,3,4-thiadiazoles against transplantable rodent tumors.

  摘要：

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  DOI：

  10.1248/cpb.33.5126

文献信息

• Gagiu; Daicoviciu; Binder, Pharmazie, 1969, vol. 24, # 2, p. 98 - 99
  作者：Gagiu、Daicoviciu、Binder、Gyoerfi

  DOI：——

  日期：——
• Antitumor activity of 5-substituted 2-acylamino-1,3,4-thiadiazoles against transplantable rodent tumors.
  作者：KENICHI MIYAMOTO、RYOZO KOSHIURA、MASAO MORI、HIDEHARU YOKOI、CHIKA MORI、TAKAAKI HASEGAWA、KICHITARO TAKATORI

  DOI：10.1248/cpb.33.5126

  日期：——

  The antitumor activities of twelve 2-N-and/or 5-substituted 2-amino-1, 3, 4-thiadiazole analogs were tested on Lewis lung carcinoma in mice by intraperitoneal administration. 2-Amino-1, 3, 4-thiadiazole (ATDA), 2-formamido-1, 3, 4-thiadiazole and 2-trifluoroacetamido-1, 3, 4-thiadiazole significantly prolonged the life span of tumor bearing mice. 5-Substituted analogs and 2-urethane and 2-carbamate type compounds were inactive. 2-Formamido-1, 3, 4-thiadiazole showed more potent activity than the parent compound ATDA against P388, L1210 leukemia, B16 melanoma and Lewis lung carcinoma. The differences in the antitumor activity among ATDA analogs are discussed.

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