3-Carbethoxymethyl-2-methylthio-7-phenylpyrazolo [1,5-a]-1,3,5-triazine-4-one | 106926-41-4

• 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: 3-Carbethoxymethyl-2-methylthio-7-phenylpyrazolo [1,5-a]-1,3,5-triazine-4-one
• 英文别名: ethyl 2-(2-methylsulfanyl-4-oxo-7-phenylpyrazolo[1,5-a][1,3,5]triazin-3-yl)acetate
• CAS: 106926-41-4
• 化学式: C₁₆H₁₆N₄O₃S
• 分子量: 344.394
• InChiKey: GLCUUMSHQSSQBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴乙酸乙酯 、 2-methylsulfanyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one 生成 3-Carbethoxymethyl-2-methylthio-7-phenylpyrazolo [1,5-a]-1,3,5-triazine-4-one
  参考文献：
  名称：

  KIM, SUN H.

  摘要：

  DOI：

文献信息

• Anti-inflammatory and anti-arthritic pyrazolo-[1,5-a]-1,3,5-triazine
  申请人：Biomeasure, Inc.

  公开号：US04734414A1

  公开（公告）日：1988-03-29

  The invention features compounds having anti-arthritic activity and having the formula ##STR1## wherein X is an alkyl group having between 1 and 8, inclusive, carbon atoms and Y is a hydroxyalkylamino group having between 2 and 8, inclusive, carbon atoms; a dialkylamino group having between 2 and 12, inclusive, carbon atoms; a carboxyalkylamino group having between 2 and 9, inclusive, carbon atoms; a heterocycloalkyl group having between 2 and 5, inclusive, carbon atoms and having nitrogen as a hetero atom; an alkylthioalkylamino group having between 3 and 10, inclusive, carbon atoms; or a heteroarylalkylthioalkylamino group having between 5 and 14, inclusive, carbon atoms and having ntrogen as a hetero atom. The invention further features compounds having similar activity and having the formula ##STR2## wherein A is H, an alkyl group having between 1 and 8, inclusive, carbon atoms, an aralkyl group having between 6 and 14 inclusive, carbon atoms, an aryl group having between 5 and 14, inclusive, carbon atoms, or a heteroaryl grour having between 3 and 12, inclusive, carbon atoms and having nitrogen as a hetero atom; and B is H, benzyl, a carboalkoxy group having between 2 and 8, inclusive, carbon atoms, or an allyl group having between 3 and 8, inclusive, carbon atoms. The invention additionally features compounds having similar activity and having the formula ##STR3## wherein r is an integer between 2 and 4, inclusive.

  本发明涉及具有抗关节炎活性的化合物，其具有以下公式：##STR1## 其中，X是具有1到8个碳原子的烷基基团，包括1和8个碳原子，Y是具有2到8个碳原子的羟基烷基氨基基团，包括2和8个碳原子；具有2到12个碳原子的二烷基氨基基团；具有2到9个碳原子的羧基烷基氨基基团；具有2到5个碳原子的杂环烷基基团，其中氮是杂原子；具有3到10个碳原子的烷基硫基烷基氨基基团；或具有5到14个碳原子的杂环芳基硫基烷基氨基基团，其中氮是杂原子。本发明还涉及具有类似活性的化合物，其具有以下公式：##STR2## 其中，A是H，具有1到8个碳原子的烷基基团，具有6到14个碳原子的芳基烷基基团，具有5到14个碳原子的芳基基团，或具有3到12个碳原子的杂环芳基基团，其中氮是杂原子；B是H，苄基，具有2到8个碳原子的羧基烷氧基基团，或具有3到8个碳原子的烯丙基基团。本发明还涉及具有类似活性的化合物，其具有以下公式：##STR3## 其中，r是介于2到4之间的整数。
• Anti-arthritic pyrazolo-triazine derivatives
  申请人：Biomeasure, Incorporated

  公开号：US04767858A1

  公开（公告）日：1988-08-30

  The invention features compounds having anti-arthritic activity and having the formula ##STR1## wherein X is an alkyl group having between 1 and 8, inclusive, carbon atoms and Y is a hydroxyalkylamino group having between 2 and 8, inclusive, carbon atoms; a dialkylamino group having between 2 and 12, inclusive, carbon atoms; a carboxyalkylamino group having between 2 and 9, inclusive, carbon atoms; a heterocycloalkyl group having between 2 and 5, inclusive, carbon atoms and having nitrogen as a hetero atom; an alkylthioalkylamino group having between 3 and 10, inclusive, carbon atoms; or a heteroarylalkylthioalkylamino group having between 5 and 14, inclusive, carbon atoms and having nitrogen as a hetero atom. The invention further features compounds having similar activity and having the formula ##STR2## wherein A is H, an alkyl group having between 1 and 8, inclusive, carbon atoms, an aralkyl group having between 6 and 14, inclusive, carbon atoms, an aryl group having between 5 and 14, inclusive, carbon atoms, or a heteroaryl group having between 3 and 12, inclusive, carbon atoms and having nitrogen as a hetero atom; and B is H, benzyl, a carboalkoxy group having between 2 and 8, inclusive, carbon atoms, an alkyl group having between 1 and 8, inclusive, carbon atoms, or an alkyl group having between 3 and 8, inclusive, carbon atoms. The invention additionally features compounds having similar activity and having the formula ##STR3## wherein r is an integer between 2 and 4, inclusive.

  这项发明涉及具有抗关节炎活性的化合物，其化学式为## STR1##其中X是具有1到8个碳原子的烷基基团，包括1和8；Y是具有2到8个碳原子的羟基烷基氨基基团，包括2和8；具有2到12个碳原子的双烷基氨基基团；具有2到9个碳原子的羧基烷基氨基基团；具有2到5个碳原子并具有氮原子作为杂原子的杂环烷基基团；具有3到10个碳原子的烷基硫基烷基氨基基团；或者具有5到14个碳原子并具有氮原子作为杂原子的杂环烷基硫基烷基氨基基团。此外，该发明还涉及具有类似活性的化合物，其化学式为## STR2##其中A为H，具有1到8个碳原子的烷基基团，具有6到14个碳原子的芳基烷基基团，具有5到14个碳原子的芳基基团，或者具有3到12个碳原子并具有氮原子作为杂原子的杂芳基基团；B为H，苄基，具有2到8个碳原子的羧烷氧基基团，具有1到8个碳原子的烷基基团，或者具有3到8个碳原子的烷基基团。此外，该发明还涉及具有类似活性的化合物，其化学式为## STR3##其中r是介于2到4之间的整数。
• Anti-inflammatory 7-phenyl pyrazolo-[1,5A]-1,3,5-triazine derivatives
  申请人：BIOMEASURE INC.

  公开号：EP0207651A2

  公开（公告）日：1987-01-07

  Compounds of general formula 11: wherein either XA represents a thioalkyl group and the moiety represents , wherein Y represents a hydroxyalkylamino, dialkylamino, carboxyalkylamino, N-heterocycloalkyl, heteroalkylthioalkylamino, alkylthiocarboxyalkylamino or heteroarylthioalkylamino group, or XA represents a thioalkyl thioaralkyl or thioheteroaralkyl group and the moiety represents wherein B represents a hydrogen atom or a carboalkoxy, alkyl, allyl or benzyl group, and their salts, are non-steroidal anti-inflammatory agents, such as are useful in the treatment of arthritis.

  通式 11 的化合物：其中 XA 代表硫代烷基且分子代表 ，Y 代表羟基烷基氨基、二烷基氨基、羧基烷基氨基、N-杂环烷基、杂烷基硫代烷基氨基、烷基硫代羧基烷基氨基或杂芳基硫代烷基氨基，或 XA 代表硫代烷基硫代烷基或硫代杂环烷基且分子代表，其中 B 代表氢原子或羧基烷氧基、烷基、烯丙基或苄基，及其盐类为非甾体抗炎剂，如用于治疗关节炎。
• KIM, SUN H.
  作者：KIM, SUN H.

  DOI：——

  日期：——
• US4734414A
  申请人：——

  公开号：US4734414A

  公开（公告）日：1988-03-29