{2-[(pyridin-4-ylmethyl)-amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yI}-thiophen-2-yl-methanone | 1131991-19-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: {2-[(pyridin-4-ylmethyl)-amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yI}-thiophen-2-yl-methanone
• 英文别名: [2-(pyridin-4-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
• CAS: 1131991-19-9
• 化学式: C₁₇H₁₃N₅OS
• 分子量: 335.389
• InChiKey: WCTPJMZZVXIVEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] PYRROLOPYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRROLOPYRIMIDINE
  申请人：VERNALIS R & D LTD

  公开号：WO2009037467A1

  公开（公告）日：2009-03-26

  Compounds of formula (I) are A2B receptor antagonists: wherein Ri is optionally substituted aryl or an optionally substituted monocyclic heteroaryl group having 5 or 6 ring atoms; R2 and R3 are independently selected from hydrogen, or optionally substituted C1-C6 alkyl, C1-C6 alkoxy-(C1- C6)-alkyl, C3-C8 cycloalkyl, aryl, heteroaryl, aryl-(C1-C6)-alkyl, or heteroaryl-(C1- C6)-alkyl; R4 and R5 are independently selected from hydrogen, optionally substituted C1-C6 alkyl, optionally substituted aryl, aryl-(C1-C6)-alkyl optionally substituted in the ring part thereof, -NHR7-N(-R8)-R9, -NH-(C=O)-R10, -(C=O)- NH-R11, -(C=O)-O-R12, or halo; R6 is hydrogen, C1-C6 alkyl, aryl-(C1-C6)-alkyl, - (C=O)-NH-R13, -(C=O)-R14, aryl, heteroaryl, hydroxy-(C1-C6)-alkyl, or C3-C8 cycloalkyl-alkyl; and R7, R8, R9, R10, R11, R12, R13 and R14 are independently selected from C1-C6 alkyl, aryl, aryl-(C1-C6)-alkyl and heteroaryl.

  化合物的化学式（I）是A2B受体拮抗剂：其中Ri是可选择的取代芳基或具有5个或6个环原子的可选择的取代的单环杂芳基基团；R2和R3分别选自氢，或可选择的取代的C1-C6烷基，C1-C6烷氧基-(C1-C6)-烷基，C3-C8环烷基，芳基，杂芳基，芳基-(C1-C6)-烷基，或杂芳基-(C1-C6)-烷基；R4和R5分别选自氢，可选择的取代的C1-C6烷基，可选择的取代的芳基，在其环部分中可选择的取代的芳基-(C1-C6)-烷基，-NHR7-N(-R8)-R9，-NH-(C=O)-R10，-(C=O)-NH-R11，-(C=O)-O-R12，或卤素；R6是氢，C1-C6烷基，芳基-(C1-C6)-烷基，-(C=O)-NH-R13，-(C=O)-R14，芳基，杂芳基，羟基-(C1-C6)-烷基，或C3-C8环烷基-烷基；而R7、R8、R9、R10、R11、R12、R13和R14分别选自C1-C6烷基，芳基，芳基-(C1-C6)-烷基和杂芳基。
• PYRROLOPYRIMIDINE COMPOUNDS
  申请人：Jordan Allan

  公开号：US20100305143A1

  公开（公告）日：2010-12-02

  Compounds of formula (I) are A 2B receptor antagonists: wherein Ri is optionally substituted aryl or an optionally substituted monocyclic heteroaryl group having 5 or 6 ring atoms; R 2 and R 3 are independently selected from hydrogen, or optionally substituted C 1 -C 6 alkyl, C 1 -C 6 alkoxy-(C 1 -C 6 )-alkyl, C 3 -C 8 cycloalkyl, aryl, heteroaryl, aryl-(C 1 -C 6 )-alkyl, or heteroaryl-(C 1 -C 6 )-alkyl; R 4 and R 5 are independently selected from hydrogen, optionally substituted C 1 -C 6 alkyl, optionally substituted aryl, aryl-(C 1 -C 6 )-alkyl optionally substituted in the ring part thereof, —NHR 7 —N(—R 8 )—R 9 , —NH—(C═O)—R 10 , —(C═O)—NH—R 11 , —(C═O)—O—R 12 , or halo; R 6 is hydrogen, C 1 -C 6 alkyl, aryl-(C 1 -C 6 )-alkyl, —(C═O)—NH—R 13 , —(C═O)—R 14 , aryl, heteroaryl, hydroxy-(C 1 -C 6 )-alkyl, or C 3 -C 8 cycloalkyl-alkyl; and R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 and R 14 are independently selected from C 1 -C 6 alkyl, aryl, aryl-(C 1 -C 6 )-alkyl and heteroaryl.

  式(I)的化合物是A2B受体拮抗剂：其中Ri是可选择的取代芳基或有5或6个环原子的可选择的取代单环杂环基团；R2和R3独立地选自氢、或可选择的取代C1-C6烷基、C1-C6烷氧基-(C1-C6)-烷基、C3-C8环烷基、芳基、杂环芳基、芳基-(C1-C6)-烷基或杂环芳基-(C1-C6)-烷基；R4和R5独立地选自氢、可选择的取代C1-C6烷基、可选择的取代芳基、在环部分中可选择的取代芳基-(C1-C6)-烷基、—NHR7—N(—R8)—R9、—NH—(C═O)—R10、—(C═O)—NH—R11、—(C═O)—O—R12或卤素；R6是氢、C1-C6烷基、芳基-(C1-C6)-烷基、—(C═O)—NH—R13、—(C═O)—R14、芳基、杂环芳基、羟基-(C1-C6)-烷基或C3-C8环烷基-烷基；R7、R8、R9、R10、R11、R12、R13和R14独立地选自C1-C6烷基、芳基、芳基-(C1-C6)-烷基和杂环芳基。