N-Phenyl-N'-(2-(4-(2-thienylcarbonyl)thieno[3,2-d]pyrimidin-2-yl)aminoethyl)thiourea | 319442-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Phenyl-N'-(2-(4-(2-thienylcarbonyl)thieno[3,2-d]pyrimidin-2-yl)aminoethyl)thiourea
• 英文别名: 1-phenyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
• CAS: 319442-09-6
• 化学式: C₂₀H₁₇N₅OS₃
• 分子量: 439.586
• InChiKey: BNNNLKXWYJXFDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  168
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(2-aminoethylamino)thieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone 、 硫代异氰酸苯酯 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.0h， 以61%的产率得到N-Phenyl-N'-(2-(4-(2-thienylcarbonyl)thieno[3,2-d]pyrimidin-2-yl)aminoethyl)thiourea
  参考文献：
  名称：

  Thieno-and furopyrimidine derivatives as A2A-receptor antagonists

  摘要：

  式(I)的化合物：其中X为S。该化合物可用于治疗一种需要阻断嘌呤受体有益的疾病。

  公开号：

  US06787541B1

文献信息

• [EN] THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS<br/>[FR] THIENO- ET DERIVES DE FUROPYRAMIDINES AYANT UNE FONCTION D'ANTAGONISTES DU RECEPTEUR A2A
  申请人：VERNALIS RES LTD

  公开号：WO2001002409A1

  公开（公告）日：2001-01-11

  A compound of formula (I) wherein X is O or S; R1 and R2 are independently selected from hydrogen, alkyl, aryl, hydroxy, alkoxy, aryloxy, cyano, nitro, CO2R7, COR7, OCOR7CONR7R8, CONR7NR8R9, OCONR7R8, NR7R8, NR7COR8, NR7CONR8R9, NR7CO2R8, NR7SO2R8, NR7CONR8NR9R10, NR7NR8CO2R9, NR7NR8CONR9R10, NR7SO2NR8R9, SO2R7, SOR7, SR7 and SO2NR7R8, or R1 and R2 together form a carbonyl group (C=O), an oxime group (C=NOR11), an imine group (C=NR11) or a hydrazone group (C=NNR11R12), or R1 and R2 together form a 5, 6 or 7 membered carbocyclic or heterocyclic ring; R3 is alkyl or aryl; R4, R5 and R6 are independently selected from hydrogen, alkyl, aryl, halogen, hydroxy, nitro, cyano, alkoxy, aryloxy, COR7, OCOR7, CO2R7, SR7, SOR7, SO2R7, SO2NR7R8, CONR7R8, CONR7NR8R9, OCONR7R8, NR7R8, NR7COR8, NR7CONR8R9, NR7CO2R8, NR7SO2R8, CR7=NOR8, NR7CONR8NR9R10, NR7NR8CO2R9, NR7NR8CONR9R10, SO2NR7NR8R9, NR7SO2NR8R9, NR7NR8SO2R9, NR7NR8COR9, NR7NR8R9 and NR7CSNR8R9, or R5 and R6 together form a 5, 6 or 7 membered carbocyclic or heterocyclic ring; and R7, R8, R9, R10, R11 and R12 are independently selected from hydrogen, alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, and the use thereof in therapy, particularly in the therapy of a disorder in which the blocking of purine receptors may be beneficial, such as Parkinson's Disease.

  化合物的化学式为（I），其中X为O或S；R1和R2分别选自氢，烷基，芳基，羟基，烷氧基，芳氧基，氰基，硝基，CO2R7，COR7，OCOR7CONR7R8，CONR7NR8R9，OCONR7R8，NR7R8，NR7COR8，NR7CONR8R9，NR7CO2R8，NR7SO2R8，NR7CONR8NR9R10，NR7NR8CO2R9，NR7NR8CONR9R10，NR7SO2NR8R9，SO2R7，SOR7，SR7和SO2NR7R8，或R1和R2共同形成一个羰基（C=O），肟基（C=NOR11），亚胺基（C=NR11）或肼基（C=NNR11R12），或R1和R2共同形成一个5、6或7元环的碳环或杂环；R3为烷基或芳基；R4、R5和R6分别选自氢，烷基，芳基，卤素，羟基，硝基，氰基，烷氧基，芳氧基，COR7，OCOR7，CO2R7，SR7，SOR7，SO2R7，SO2NR7R8，CONR7R8，CONR7NR8R9，OCONR7R8，NR7R8，NR7COR8，NR7CONR8R9，NR7CO2R8，NR7SO2R8，CR7=NOR8，NR7CONR8NR9R10，NR7NR8CO2R9，NR7NR8CONR9R10，SO2NR7NR8R9，NR7SO2NR8R9，NR7NR8SO2R9，NR7NR8COR9，NR7NR8R9和NR7CSNR8R9，或R5和R6共同形成一个5、6或7元环的碳环或杂环；R7、R8、R9、R10、R11和R12分别选自氢，烷基和芳基，或其药学上可接受的盐或前药，以及在治疗中的使用，特别是在阻断嘌呤受体可能有益的疾病，如帕金森病的治疗中的使用。
• THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS
  申请人：VERNALIS RESEARCH LIMITED

  公开号：EP1192164A1

  公开（公告）日：2002-04-03
• US6787541B1
  申请人：——

  公开号：US6787541B1

  公开（公告）日：2004-09-07
• Thieno-and furopyrimidine derivatives as A2A-receptor antagonists
  申请人：Vernalis Research Limited

  公开号：US06787541B1

  公开（公告）日：2004-09-07

  Compounds of formula (I): wherein X is S. Compounds can be used for treating a disorder in which the blocking of purine receptors is beneficial.

  式(I)的化合物：其中X为S。该化合物可用于治疗一种需要阻断嘌呤受体有益的疾病。