1,2,3,4-tetrahydro-12H-[1]benzothieno[3,2-d]pyrido[1,2-a]pyrimidin-12-one | 60943-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1,2,3,4-tetrahydro-12H-[1]benzothieno[3,2-d]pyrido[1,2-a]pyrimidin-12-one
• 英文别名: 1,2,3,4-tetrahydro-benzo[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one；1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one；1,2,3,4-Tetrahydro-12H-[1]-benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one；17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-9-one
• CAS: 60943-07-9
• 化学式: C₁₄H₁₂N₂OS
• 分子量: 256.328
• InChiKey: FFUWEQUBGYFGGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,8,9,10,11-hexahydro-9-methyl-[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione 、 1,2,3,4-tetrahydro-12H-[1]benzothieno[3,2-d]pyrido[1,2-a]pyrimidin-12-one 生成 2,3-dihydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-4,12(1H)-one
  参考文献：
  名称：

  Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds

  摘要：

  硫代吡嗪酮化合物在治疗中有用，特别是用于治疗和/或预防类固醇激素依赖性障碍，优选为需要抑制17β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或障碍，如17β-HSD类型1、类型2或类型3酶。

  公开号：

  US07754709B2
• 作为产物：
  描述：

  2-氯吡啶 、 2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯 生成 1,2,3,4-tetrahydro-12H-[1]benzothieno[3,2-d]pyrido[1,2-a]pyrimidin-12-one
  参考文献：
  名称：

  Manhas,M.S.; Amin,S.G., Journal of Heterocyclic Chemistry, 1976, vol. 13, p. 903 - 906

  摘要：

  DOI：

文献信息

• [EN] THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] THIOPHENEPYRIMIDINONES SERVANT D'INHIBITEURS DE LA 17-BETA-DEHYDROGENASE HYDROXYSTEROIDE
  申请人：SOLVAY PHARM BV

  公开号：WO2004110459A1

  公开（公告）日：2004-12-23

  This invention relates to compounds useful in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 170β-hydroxysteroid dehydrogenase (1 7β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  这项发明涉及在治疗中有用的化合物，特别是用于治疗和/或预防类固醇激素依赖性疾病，最好是需要抑制170β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或疾病。这种抑制剂可以是17β-HSD的1型、2型或3型酶。
• Reactivity of Substituted Bromothiophenecarboxylates in Palladium-Catalyzed N-Arylation of Hetarylamines
  作者：Gilbert Kirsch、Agathe Begouin、Stéphanie Hesse、Maria-João Queiroz

  DOI：10.1055/s-2006-942510

  日期：2006.8

  The N-arylation of hetarylamines by reaction of aminopyridines or aminoquinolines with substituted bromothiophene-2- or -3-carboxylates is described. From 2-aminopyridines and 1-aminoisoquinoline, polycyclic compounds were obtained in one-pot, two-step reactions: C-N coupling is followed by intramolecular cyclization involving the nitrogen atom of the heterocyclic ring and the carboxylate. Steric hindrance seems to be a limitation for the latter reaction, because when 2-amino-6-picoline was used, the corresponding dihetarylamines were obtained.

  本研究介绍了通过氨基吡啶或氨基喹啉与取代的溴噻吩-2-或-3-羧酸盐反应来实现庚二胺的 N-芳基化。通过一锅两步反应，从 2-氨基吡啶和 1-氨基异喹啉中获得了多环化合物：在 C-N 偶联之后，杂环的氮原子和羧酸盐发生分子内环化反应。立体阻碍似乎是后一反应的限制因素，因为当使用 2-氨基-6-甲基吡啶时，可得到相应的二苯乙胺。
• Therapeutically Active Thiophenepyrimidinone Compounds and Their Use
  申请人：Waehaelae Kristiina

  公开号：US20080103131A1

  公开（公告）日：2008-05-01

  Thiopheneprymidinone compounds useful in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  硫代嘧啶酮化合物在治疗中有用，特别是用于治疗和/或预防类固醇激素依赖性疾病，优选为需要抑制17β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或疾病，例如17β-HSD类型1、类型2或类型3酶。
• Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds
  申请人：Solvay Pharmaceuticals BV

  公开号：US07754709B2

  公开（公告）日：2010-07-13

  Thiopheneprymidinone compounds useful in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  硫代吡嗪酮化合物在治疗中有用，特别是用于治疗和/或预防类固醇激素依赖性障碍，优选为需要抑制17β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或障碍，如17β-HSD类型1、类型2或类型3酶。
• Therapeutically active thiophenepyrimidinone compounds and their use
  申请人：Waehaelae Kristiina

  公开号：US20050032778A1

  公开（公告）日：2005-02-10

  Thiopheneprymidinone compounds useful in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  用于治疗的噻吩丙脒酮化合物，特别是用于治疗和/或预防类固醇激素依赖性疾病，最好是需要抑制 17β- 羟基类固醇脱氢酶（17β-HSD）如 17β-HSD 1 型、2 型或 3 型酶的类固醇激素依赖性疾病或紊乱。