{6-(3-picolylamino)-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone | 1131921-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: {6-(3-picolylamino)-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
• 英文别名: {6-(3-Picolylamino)-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}thiophen-2-yl-methanone；[2,6-bis(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
• CAS: 1131921-02-2
• 化学式: C₂₃H₁₈N₆OS₂
• 分子量: 458.568
• InChiKey: BXEPZMXZIXWQED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-氨甲基吡啶 、 {6-chloro-2-[(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl}thiophen-2-yl-methanone 以 N,N-二甲基乙酰胺 为溶剂， 反应 0.5h， 以59%的产率得到{6-(3-picolylamino)-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
  参考文献：
  名称：

  [EN] THIENOPYRIMIDINE COMPOUNDS
  [FR] COMPOSÉS THIÉNOPYRIMIDINE

  摘要：

  化合物的化学式（I）是A2B受体拮抗剂，其中R1是可选择地取代的芳基或可选择地取代的5-或6-成员杂芳基环；R2和R3分别选自氢、C1-C6烷基、C3-C8环烷基、C3-C8环烷基-(C1-C6)-烷基、芳基-(C1-C6)-烷基，其环部分可选择地取代，一个可选择地经过C1-C6烷基链连接并在其环部分可选择地取代的5-或6-成员单环杂环基团，苯并咪唑-2-基-甲基，吡啶-3-基-酰基，或（1-甲基哌啶-4-基）-酰基-甲基；或R2和R3与它们连接的氮原子一起形成一个可选择地取代的5-或6-成员环；R4是C1-C3烷基，C2-C3烯基，-N(-R5)-R6，或可选择地取代的杂芳基甲基氨基；R5和R6分别选自氢或C1-C3烷基；或R5和R6与它们连接的氮原子一起形成一个可选择地取代的4-至6-成员饱和环。

  公开号：

  WO2009037463A1

文献信息

• THIENOPYRIMIDINE COMPOUNDS
  申请人：Jordan Allan

  公开号：US20110118284A1

  公开（公告）日：2011-05-19

  Compounds of formula (I) are A 2B receptor antagonists, wherein R 1 is optionally substituted aryl or an optionally substituted 5- or 6-membered heteroaryl ring; R 2 and R 3 are independently selected from hydrogen, C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 3 -C 8 cycloalkyl-(C 1 -C 6 )-alkyl, aryl-(C 1 -C 6 )-alkyl optionally substituted in the ring part thereof, a 5- or 6-membered monocyclic heterocyclic group optionally linked via a C 1 -C 6 alkylene chain and optionally substituted in the ring part thereof, benzimidazol-2-yl-methyl, pyrid-3-yl-carbonyl, or (1-methyl-piperidin-4-yl)-carbonyl-methyl; or R 2 and R 3 taken together with the nitrogen atom to which they are attached form an optionally substituted 5- or 6-membered ring; R 4 is C 1 -C 3 alkyl, C 2 -C 3 alkenyl, —N(—R 5 )—R 6 , or optionally substituted heteroarylmethylamino; and R 5 and R 6 are independently selected from hydrogen or C 1 -C 3 alkyl; or R 5 and R 6 taken together with the nitrogen atom to which they are attached form an optionally substituted 4- to 6-membered saturated ring.

  式(I)的化合物是A2B受体拮抗剂，其中R1是可选取代芳基或可选取代的5-或6-成员杂环芳基环；R2和R3独立地选择氢、C1-C6烷基、C3-C8环烷基、C3-C8环烷基-(C1-C6)-烷基、取代环部分的芳基-(C1-C6)-烷基、5-或6-成员单环杂环基，可通过C1-C6亚烷基链连接并可在环部分取代，苯并咪唑-2-基-甲基，吡啶-3-基-羰基或(1-甲基哌啶-4-基)-羰基-甲基；或R2和R3与它们所连接的氮原子一起形成可选取代的5-或6-成员环；R4是C1-C3烷基、C2-C3烯基，-N(-R5)-R6，或可选取代的杂芳基甲基氨基；R5和R6独立地选择氢或C1-C3烷基；或R5和R6与它们所连接的氮原子一起形成可选取代的4-到6-成员饱和环。
• Thienopyrimidine Compounds
  申请人：Vernalis (R&D) Ltd.

  公开号：US20150342953A1

  公开（公告）日：2015-12-03

  Compounds of formula (I) are A 2B receptor antagonists: Wherein R 1 is optionally substituted aryl or an optionally substituted 5- or 6-membered heteroaryl ring; R 2 and R 3 are independently selected from hydrogen, C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 3 -C 8 cycloalkyl-(C 1 -C 6 )-alkyl, aryl-(C 1 -C 6 )-alkyl optionally substituted in the ring part thereof, a 5- or 6-membered monocyclic heterocyclic group optionally linked via a C 1 -C 6 alkylene chain and optionally substituted in the ring part thereof, benzimidazol-2-yl-methyl, pyrid-3-yl-carbonyl, or (1-methyl-piperidin-4-yl)-carbonyl-methyl; or R 2 and R 3 taken together with the nitrogen atom to which they are attached form an optionally substituted 5- or 6-membered ring; R 4 is C 1 -C 3 alkyl, C 2 -C 3 alkenyl, —(—R 5 )—R 6 , or optionally substituted heteroarylmethylamino; and R 5 and R 6 are independently selected from hydrogen or C 1 -C 3 alkyl; or R 5 and R 6 taken together with the nitrogen atom to which they are attached form an optionally substituted 4- to 6-membered saturated ring.

  化合物的公式(I)为A2B受体拮抗剂：其中，R1是可选取代的芳基或可选取代的5-或6-成员杂环芳基环；R2和R3独立选择自氢、C1-C6烷基、C3-C8环烷基、C3-C8环烷基-(C1-C6)-烷基、芳基-(C1-C6)-烷基在其环部分上可选取代的、5-或6-成员的单环杂环基，其可以通过C1-C6亚烷基链连接，或苯并咪唑-2-基-甲基、吡啶-3-基-羰基，或(1-甲基哌啶-4-基)-羰基-甲基；或R2和R3结合于它们所连接的氮原子形成可选取代的5-或6-成员环；R4是C1-C3烷基、C2-C3烯基，-(—R5)—R6，或可选取代的杂芳基甲基氨基；R5和R6独立选择自氢或C1-C3烷基；或R5和R6结合于它们所连接的氮原子形成可选取代的4-到6-成员饱和环。
• Thienopyrimidine compounds
  申请人：Vernalis (R&D) Ltd.

  公开号：US10556911B2

  公开（公告）日：2020-02-11

  Compounds of formula (I) are A2B receptor antagonists: Wherein R1 is optionally substituted aryl or an optionally substituted 5- or 6-membered heteroaryl ring; R2 and R3 are independently selected from hydrogen, C1-C6 alkyl, C3-C8 cycloalkyl, C3-C8 cycloalkyl-(C1-C6)-alkyl, aryl-(C1-C6)-alkyl optionally substituted in the ring part thereof, a 5- or 6-membered monocyclic heterocyclic group optionally linked via a C1-C6 alkylene chain and optionally substituted in the ring part thereof, benzimidazol-2-yl-methyl, pyrid-3-yl-carbonyl, or (1-methyl-piperidin-4-yl)-carbonyl-methyl; or R2 and R3 taken together with the nitrogen atom to which they are attached form an optionally substituted 5- or 6-membered ring; R4 is C1-C3 alkyl, C2-C3 alkenyl, —N(—R5)—R6, or optionally substituted heteroarylmethylamino; and R5 and R6 are independently selected from hydrogen or C1-C3 alkyl; or R5 and R6 taken together with the nitrogen atom to which they are attached form an optionally substituted 4- to 6-membered saturated ring.

  式（I）化合物是 A2B 受体拮抗剂： 其中 R1 是任选取代的芳基或任选取代的 5 或 6 元杂芳基环；R2和R3独立地选自氢、C1-C6烷基、C3-C8环烷基、C3-C8环烷基-(C1-C6)-烷基、在其环状部分被任选取代的芳基-(C1-C6)-烷基、任选通过C1-C6亚烷基链连接且在其环状部分被任选取代的5-或6-元单环杂环基团、苯并咪唑-2-基-甲基、吡啶-3-基-羰基或(1-甲基-哌啶-4-基)-羰基-甲基；或 R2 和 R3 与它们所连接的氮原子一起形成任选取代的 5 或 6 元环；R4 是 C1-C3 烷基、C2-C3 烯基、-N(-R5)-R6 或任选取代的杂芳基甲基氨基；R5 和 R6 独立选自氢或 C1-C3 烷基；或 R5 和 R6 与它们所连接的氮原子一起形成任选取代的 4 至 6 元饱和环。
• US9120807B2
  申请人：——

  公开号：US9120807B2

  公开（公告）日：2015-09-01
• US9610290B2
  申请人：——

  公开号：US9610290B2

  公开（公告）日：2017-04-04