7-chloro-5-methyl-3-phenylthiazolo<4,5-d>pyrimidin-2(3H)-thione | 141622-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-chloro-5-methyl-3-phenylthiazolo<4,5-d>pyrimidin-2(3H)-thione
• 英文别名: 7-chloro-5-methyl-3-phenyl-thiazolo<5,4-d>pyrimidin-2-thione；7-chloro-5-methyl-3-phenyl-2,3-dihydro-2-thioxothiazolo[4,5-d]pyrimidine；7-Chloro-5-methyl-3-phenylthiazolo[4,5-d]pyrimidine-2(3H)-thione；7-chloro-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
• CAS: 141622-15-3
• 化学式: C₁₂H₈ClN₃S₂
• mdl: MFCD03767575
• 分子量: 293.801
• InChiKey: IETDFKOHVIAZBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  86.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-chloro-5-methyl-3-phenylthiazolo<4,5-d>pyrimidin-2(3H)-thione 在 sodium hydroxide 、 sodium acetate 、 硫脲 作用下， 以 乙醇 为溶剂， 反应 3.08h， 生成 3-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]propanenitrile
  参考文献：
  名称：

  El-Dean, Adel M. Kamal, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 66, # 14, p. 21 - 28

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-3-苯基-2-三氧-2,3-二氢[1,3]噻唑并[4,5-D]嘧啶-7(6H)-酮 在 五氯化磷 、 三氯氧磷 作用下， 生成 7-chloro-5-methyl-3-phenylthiazolo<4,5-d>pyrimidin-2(3H)-thione
  参考文献：
  名称：

  El-Sherbeny; Badria; Kheira, Medicinal Chemistry Research, 1996, vol. 6, # 1, p. 28 - 39

  摘要：

  DOI：

文献信息

• Potential anti-microbials. II. Synthesis and in vitro anti-microbial evaluation of some thiazolo[4,5-d]pyrimidines
  作者：ESAM Badawey、SM Rida、AA Hazza、HTY Fahmy、YM Gohar

  DOI：10.1016/0223-5234(93)90002-v

  日期：1993.1

  Some thiazolo[4,5-d]pyrimidines were prepared in order to investigate their antimicrobial activity. A significant inhibitory effect was recorded for many compounds against Staphylococcus aureus ATCC 25923 (3, 6, 9a; MIC = 10-20 mug/ml), Escherichia coli ATCC 25922 (3,5,9b, MIC = 40 mug/ml) and Candida albicans DSM 70443 (6, MIC = 50 mug/ml).
• Condensed thiazoles, II: Synthesis of 7-substituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents
  作者：N. S. Habib、S. M. Rida、E. A. M. Badawey、H. T. Y. Fahmy

  DOI：10.1007/bf00844697

  日期：1996.11

  Some 3-substituted 2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones (2a, b; 4) have been synthesized and converted to their 7-chloro (3, 5), 7-diethanolamino (6a,b), 7-bis(2-chloroethyl)amino (7), 7-azido (8), 7-amino (9), 7-hydrazino (10), 7-mercapto (11a, b), and 7-methylthio (12) derivatives. These compounds were evaluated for their in vitro antimicrobial, anti-HIV, and anticancer activities.
• El-Sherbeny; Badria; Kheira, Medicinal Chemistry Research, 1996, vol. 6, # 1, p. 28 - 39
  作者：El-Sherbeny、Badria、Kheira

  DOI：——

  日期：——
• El-Dean, Adel M. Kamal, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 66, # 14, p. 21 - 28
  作者：El-Dean, Adel M. Kamal

  DOI：——

  日期：——