N-[(3-chloro-4-methoxyphenyl)methyl]-5-(imidazol-1-ylmethyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: N-[(3-chloro-4-methoxyphenyl)methyl]-5-(imidazol-1-ylmethyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
• 化学式: C₂₂H₂₃ClN₆OS
• 分子量: 455.0
• InChiKey: BRJBRYHXKKJBLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• THIENOPYRIMIDINE COMPOUNDS AND SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1167367A1

  公开（公告）日：2002-01-02

  Thieno(2,3-d)pyrimidine compounds of general formula (1) useful as drugs having a cGMP-specific phosphodiesterase inhibiting effect and so on; and a process for the preparation of the same wherein Q is a group represented by the general formula: (CH2)n-N(r1)-C(r2) (r3), CH=CH-CH=CH, or (CH2)m which is bonded to a and b; R1 is hydrogen or C1-C6 alkyl; R2 is C3-C8 cycloalkyl optionally substituted with G1, phenyl optionally substituted with G2, or a saturated or unsaturated heterocyclic group having 1 to 4 heteroatoms selected from among N, O and S and being optionally substituted with G3; and R3 is a saturated or unsaturated heterocyclic group having 1 to 4 heteroatoms selected from among N, O and S and being optionally substituted with G3 or a group represented by the general formula: (CH2)kC(=O)R4 or CH=CHC(O)R4.

  通式(1)的噻吩并(2,3-d)嘧啶化合物，可用作具有 cGMP 特异性磷酸二酯酶抑制作用的药物等；及其制备方法 其中 Q 是由通式表示的基团：(CH2)n-N(r1)-C(r2)(r3)，CH=CH-CH=CH，或( )m，与a和b键合；R1是氢或C1-C6烷基；R2是任选被G1取代的C3-C8环烷基，任选被G2取代的苯基，或具有1至4个选自N、O和S的杂原子并任选被G3取代的饱和或不饱和杂环基团；和 R3 是一个饱和或不饱和杂环基团，具有 1 至 4 个从 N、O 和 S 中选出的杂原子，并可选择被 G3 取代，或者是一个由通式表示的基团：( )kC(=O)R4 或 CH=CHC(O)R4。
• Thienopyrimidine compounds and salts thereof and process for the preparation of the same
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1323719A1

  公开（公告）日：2003-07-02

  Thieno (2,3-d) pyrimidine compounds are decribed which are useful as drugs having a cGMP-specific phosphodiesterase inhibiting effect and a process for the preparation of the same.

  本文介绍了噻吩并(2,3-d)嘧啶化合物，该化合物可用作具有 cGMP 特异性磷酸二酯酶抑制作用的药物，还介绍了制备该化合物的工艺。
• US6482948B1
  申请人：——

  公开号：US6482948B1

  公开（公告）日：2002-11-19