(4-oxo-2-thioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)acetic acid | 85717-05-1

• 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: (4-oxo-2-thioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)acetic acid
• 英文别名: 2-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetic acid
• CAS: 85717-05-1
• 化学式: C₁₂H₁₂N₂O₃S₂
• 分子量: 296.371
• InChiKey: VTUZMUGODWJROF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-oxo-2-thioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)acetic acid 反应 0.25h， 生成 2,3,4,5,6,7,8,9-Octahydrobenzothieno<2,3-d>thiazolo<3,2-a>pyrimidin-2,5-dion
  参考文献：
  名称：

  死合成冯2,3,4,5-1 ħ -Tetrahydroimidazo [2,1- b ] chinazolin -2,5- dionen UND analogen 2,3,4,5-1 ħ -Tetrahydroimidazo [1,2一] thieno [2,3- d ]（bzw. [3,2- d ]）-嘧啶-2,5-dionen †

  摘要：

  2,3,4,5-1的合成ħ -Tetrahydroimidazo [2,1- b ]喹唑啉-2,5-二酮和类似2,3,4,5-1 ħ -Tetrahydroimidazo [1,2一] Thieno [2,3- d ]（或[3,2- d ]）-嘧啶-2,5-二酮

  DOI：

  10.1002/hlca.19830660116
• 作为产物：
  描述：

  2-异硫氰基-4,5,6,7-四氢-1-苯并噻吩-3-羧酸乙酯 在 盐酸 、 sodium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 生成 (4-oxo-2-thioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)acetic acid
  参考文献：
  名称：

  死合成冯2,3,4,5-1 ħ -Tetrahydroimidazo [2,1- b ] chinazolin -2,5- dionen UND analogen 2,3,4,5-1 ħ -Tetrahydroimidazo [1,2一] thieno [2,3- d ]（bzw. [3,2- d ]）-嘧啶-2,5-dionen †

  摘要：

  2,3,4,5-1的合成ħ -Tetrahydroimidazo [2,1- b ]喹唑啉-2,5-二酮和类似2,3,4,5-1 ħ -Tetrahydroimidazo [1,2一] Thieno [2,3- d ]（或[3,2- d ]）-嘧啶-2,5-二酮

  DOI：

  10.1002/hlca.19830660116

文献信息

• BIOLOGICAL AND BIOCHEMICAL SCREENING OF SOME NEW AMINO ACID THIENOPYRIMIDINONE DERIVATIVES FOR POTENTIAL RADIOPROTECTIVE CHARACTER
  作者：H. I. Heiba、M. M. Ghorab、Mona A. El-gawish

  DOI：10.1080/10426509708031608

  日期：1997.12.1

  Ethyl-4,5,6,7-tetrahydro-2-isothiocyanato-1-benzothiophene-3-carboxylate 1 reacts with alpha-amino acids to give thienopyrimidinone derivatives 12-21 with the nitrogen of the amino acid component bring incorporated into the fused pyrimidine ring at position three. The synthesized compounds were characterised by elemental analysis, IR, and in typical instances also by H-1-NMR and mass spectra. The compounds were screened for their antimicrobial activity and most of them showed a remarkably good activity against the tested microorganisms. The preliminary biochemical screening of the prepared compounds 12-21 revealed no appreciable changes of serum triglycerides and phospholipids at doses (0.004, 0.04, 0.4 mg/100 g body weight). Only the glycine 12, serine 18, methionine 19 and glutamic 20 derivatives showed significant changes in serum triglycerides, while at doses 1.0 and 2.0 mg/100 g body weight most of the compounds caused variable and significant changes in both triglycerides and phospholipids. The methionine 19 and glutamic 20 derivatives showed the most radioprotective effect on serum albumin.
• KIENZLE, F.;KAISER, A.;MINDER, R. E., HELV. CHIM. ACTA, 1983, 66, N 1, 148-157
  作者：KIENZLE, F.、KAISER, A.、MINDER, R. E.

  DOI：——

  日期：——
• Die Synthese von 2,3,4,5-1H-Tetrahydroimidazo[2,1-b]chinazolin-2,5-dionen und analogen 2,3,4,5-1H-Tetrahydroimidazo[1,2-a]thieno[2,3-d] (bzw. [3,2-d])-pyrimidin-2,5-dionen
  作者：Frank Kienzle、Ado Kaiser、Rudolf E. Minder

  DOI：10.1002/hlca.19830660116

  日期：1983.2.2

  The Synthesis of 2,3,4,5-1H-Tetrahydroimidazo[2,1-b]quinazolin-2,5-diones and analogous 2,3,4,5-1H-Tetrahydroimidazo[1,2-a]thieno[2,3-d] (or [3,2-d])-pyrimidin-2,5-diones

  2,3,4,5-1的合成ħ -Tetrahydroimidazo [2,1- b ]喹唑啉-2,5-二酮和类似2,3,4,5-1 ħ -Tetrahydroimidazo [1,2一] Thieno [2,3- d ]（或[3,2- d ]）-嘧啶-2,5-二酮