N-(4-(5-methylaminomethyl-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyureahydrochloride | 737790-22-6

• 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-(4-(5-methylaminomethyl-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyureahydrochloride
• 英文别名: 1-[4-[1-[(2,6-difluorophenyl)methyl]-3-(4-methoxyphenyl)-5-(methylaminomethyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea;hydrochloride
• CAS: 737790-22-6
• 化学式: C₃₀H₂₇F₂N₅O₅S*ClH
• 分子量: 644.099
• InChiKey: RKEWGLMJGBCIGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.04
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-3-(4-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea 在 palladium on activated carbon 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以96%的产率得到N-(4-(5-methylaminomethyl-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyureahydrochloride
  参考文献：
  名称：

  Thienopyrimidine compounds and use thereof

  摘要：

  公开号：

  EP1591446B1

文献信息

• THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20140221381A1

  公开（公告）日：2014-08-07

  The present invention provides a compound represented by the formula: wherein R 1 is a C 1-4 alkyl; R 2 is (1) a 5- to 7-membered nitrogen-containing heterocyclic group which may have a substituent selected from the group consisting of (1′) a halogen, (2′) a hydroxy group, (3′) a C 1-4 alkyl and (4′) a C 1-4 alkoxy, (2) a phenyl which may have a substituent selected from the group consisting of (1′) a halogen, (2′) a C 1-4 alkoxy-C 1-4 alkyl, (3′) a mono-C 1-4 alkyl-carbamoyl-C 1-4 alkyl, (4′) a C 1-4 alkoxy and (5′) a mono-C 1-4 alkylcarbamoyl-C 1-4 alkoxy, or the like; R 3 is a C 1-4 alkyl; R 4 is a C 1-4 alkoxy, or the like; n is an integer of 1 to 4; or a salt thereof, as a thienopyrimidine compound having gonadotropin-releasing hormone antagonistic activity.

  本发明提供了一种化合物，其表示为式：其中，R1是C1-4烷基；R2是(1)含氮的5-7元杂环基团，该基团可以具有从群组(1')卤素，(2')羟基，(3')C1-4烷基和(4')C1-4烷氧基中选择的取代基，或(2)苯基，该苯基可以具有从群组(1')卤素，(2')C1-4烷氧基-C1-4烷基，(3')单个C1-4烷基-氨基甲酰-C1-4烷基，(4')C1-4烷氧基和(5')单个C1-4烷基-氨基甲酰-C1-4烷氧基等中选择的取代基；R3是C1-4烷基；R4是C1-4烷氧基或类似物；n是1到4的整数；或其盐，作为一种具有促性腺激素释放激素拮抗活性的噻唑嘧啶化合物。
• Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08058280B2

  公开（公告）日：2011-11-15

  The present invention provides a compound represented by the formula: wherein R1 is a C1-4 alkyl; R2 is (1) a 5- to 7-membered nitrogen-containing heterocyclic group which may have a substituent selected from the group consisting of (1′) a halogen, (2′) a hydroxy group, (3′) a C1-4 alkyl and (4′) a C1-4 alkoxy, (2) a phenyl which may have a substituent selected from the group consisting of (1′) a halogen, (2′) a C1-4 alkoxy-C1-4 alkyl, (3′) a mono-C1-4 alkyl-carbamoyl-C1-4 alkyl, (4′) a C1-4 alkoxy and (5′) a mono-C1-4 alkylcarbamoyl-C1-4 alkoxy, or the like; R3 is a C1-4 alkyl; R4 is a C1-4 alkoxy, or the like; n is an integer of 1 to 4; or a salt thereof, as a thienopyrimidine compound having gonadotropin-releasing hormone antagonistic activity.

  本发明提供了一种化合物，其表示为式：其中R1是C1-4烷基；R2是(1)含氮的5-7元杂环基团，可以具有选自（1'）卤素，（2'）羟基，（3'）C1-4烷基和（4'）C1-4烷氧基的取代基，或（2）苯基，其可以具有选自（1'）卤素，（2'）C1-4烷氧基-C1-4烷基，（3'）单个C1-4烷基-氨基甲酰基-C1-4烷基，（4'）C1-4烷氧基和（5'）单个C1-4烷基氨基甲酰基-C1-4烷氧基等的取代基；R3是C1-4烷基；R4是C1-4烷氧基或类似物；n是1到4的整数；或其盐，作为一种具有促性腺激素释放激素拮抗活性的噻唑嘧啶化合物。
• US7300935B2
  申请人：——

  公开号：US7300935B2

  公开（公告）日：2007-11-27
• US8058280B2
  申请人：——

  公开号：US8058280B2

  公开（公告）日：2011-11-15
• US8735401B2
  申请人：——

  公开号：US8735401B2

  公开（公告）日：2014-05-27