3-Morpholino-1,2,4-thiadiazol-5-amine | 138588-29-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-Morpholino-1,2,4-thiadiazol-5-amine
• 英文别名: 3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
• CAS: 138588-29-1
• 化学式: C₆H₁₀N₄OS
• mdl: MFCD09865005
• 分子量: 186.24
• InChiKey: NOSLHBNBTKXKFX-UHFFFAOYSA-N

物化性质

• 沸点：
  373.9±52.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  92.5
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2934999090

文献信息

• Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0455356A1

  公开（公告）日：1991-11-06

  Pharmaceutical compounds of the following formula are described: in which R¹ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, hydroxy-C₁₋₄ alkyl, optionally substituted phenyl, optionally substituted phenyl-C₁₋₄ alkyl or a heterocycle selected from: where R³ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy, nitro, halo, cyano, trifluoromethyl, carboxyl or -CONH₂, and R⁴ is C₁₋₄ alkyl; and R² is hydrogen, C₁₋₄ alkyl, phenyl or thienyl substituted with a carboxyl or C₁₋₄ alkoxy-carbonyl group, an acyl group of the formula R⁵CO- where R⁵ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, halo C₁₋₄ alkyl, C₁₋₄ alkoxy, halo-C₁₋₄ alkoxy, phenyl, phenyl-C₁₋₄ alkyl, -NHC₁₋₄ alkyl, -NH phenyl or where R⁶ is C₁₋₄ alkyl, or a group of the formula -CH=C(COC₁₋₄ alkoxy)₂; or a salt thereof.

  以下是描述的具有以下结构的药物化合物： 其中R¹为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、羟基-C₁₋₄烷基、可选择取代的苯基、可选择取代的苯基-C₁₋₄烷基或从以下选取的杂环： 其中R³为氢、C₁₋₄烷基、C₁₋₄烷氧基、硝基、卤素、氰基、三氟甲基、羧基或-CONH₂，R⁴为C₁₋₄烷基；而R²为氢、C₁₋₄烷基、苯基或经羧基或C₁₋₄烷氧基羰基取代的噻吩基，具有R⁵CO-式的酰基，其中R⁵为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、卤素C₁₋₄烷基、C₁₋₄烷氧基、卤素-C₁₋₄烷氧基、苯基、苯基-C₁₋₄烷基、-NHC₁₋₄烷基、-NH苯基或 其中R⁶为C₁₋₄烷基，或具有-CH=C(COC₁₋₄烷氧基)₂式的基团；或其盐。
• NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：US20200062752A1

  公开（公告）日：2020-02-27

  It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R 1 represents a hydrogen atom, a halogen atom or the like; R 2 represents a hydrogen atom, a halogen atom or the like; R 3 to R 6 each represent a hydrogen atom or the like; R 7 represents a hydrogen atom or the like; R 8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein R a1 and R a2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R 7 and R 8 together represent —N—OR 10 (wherein R 10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R 7 and R 8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R 9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

  本发明旨在提供一种具有高抗肿瘤活性和低毒性对正常细胞的新型化合物。本发明提供一种由以下式(1)表示的吡啶酮羧酸衍生物或其盐，其中R1代表氢原子、卤素原子或类似物；R2代表氢原子、卤素原子或类似物；R3至R6各自代表氢原子或类似物；R7代表氢原子或类似物；R8代表氢原子、卤素原子、以下式(a)（其中Ra1和Ra2各自代表氢原子、羟基、可选择取代的低烷基基团或类似物）或类似物，或者R7和R8一起代表—N—OR10（其中R10代表氢原子、可选择取代的低烷基基团或芳基烷基基团），或者R7和R8与相邻碳原子一起形成可选择取代的4-至6元饱和杂环，或类似物；R9代表氢原子或类似物；X代表氮原子或类似物；Y代表氮原子或类似物。