2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)acetic acid | 384353-04-2

• 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-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)acetic acid
• 英文别名: 2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate
• CAS: 384353-04-2
• 化学式: C₁₀H₁₁N₃O₂S
• mdl: MFCD03285338
• 分子量: 237.282
• InChiKey: XZZINGVQMPIXPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)acetic acid 、 乙酸酐 在 sodium acetate 作用下， 反应 3.0h， 以85%的产率得到(11,12-Dimethyl-10-thia-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl) acetate
  参考文献：
  名称：

  Radioprotective and Antitumor Activity of Some Novel Amino Acids and Imidazoles Containing Thieno[2,3-d]pyrimidine Moiety

  摘要：

  A variety of novel thieno[2,3-d]pyrimidine derivatives, comprising amino acids 3a-l, imidazothieno-pyrimidines 4A, 4b-h, and 7, were obtained via the reaction of 4-chloro-5,6-dimethylthieno[2,3-d] pyrimidine 1 with a variety of reagents. The structures of these compounds were confirmed by microanalysis, IR, (1)H NMR, and mass spectrometry. Some of the obtained compounds showed promising radioprotective and antitumor activities.

  DOI：

  10.1080/10426500903126351
• 作为产物：
  描述：

  聚甘氨酸 、 4-氯-5,6-二甲基噻吩[2,3-D]嘧啶 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 6.0h， 以81%的产率得到2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)acetic acid
  参考文献：
  名称：

  Radioprotective and Antitumor Activity of Some Novel Amino Acids and Imidazoles Containing Thieno[2,3-d]pyrimidine Moiety

  摘要：

  A variety of novel thieno[2,3-d]pyrimidine derivatives, comprising amino acids 3a-l, imidazothieno-pyrimidines 4A, 4b-h, and 7, were obtained via the reaction of 4-chloro-5,6-dimethylthieno[2,3-d] pyrimidine 1 with a variety of reagents. The structures of these compounds were confirmed by microanalysis, IR, (1)H NMR, and mass spectrometry. Some of the obtained compounds showed promising radioprotective and antitumor activities.

  DOI：

  10.1080/10426500903126351

文献信息

• INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES
  申请人：Hoffman Charles S.

  公开号：US20100227853A1

  公开（公告）日：2010-09-09

  Recombinant fission yeast cells and methods of using them are described, which provide for identification of chemical and biological inhibitors or activators of a target exogenous phosphodiesterase (PDE). The invention provides, in some aspects, compounds that inhibit cAMP PDE activity and compositions that include such compounds. The invention, in part, also includes methods of using cAMP PDE-inhibiting compounds in the treatment of cAMP PDE-associated diseases and/or disorders.