[(3-chloro(thien-2-yl))hydroxymethylene]methane-1,1-dicarbonitrile | 587868-15-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: [(3-chloro(thien-2-yl))hydroxymethylene]methane-1,1-dicarbonitrile
• 英文别名: [(3-Chloro(2-thienyl))hydroxymethylene]methane-1,1-dicarbonitrile；2-[(3-chlorothiophen-2-yl)-hydroxymethylidene]propanedinitrile
• CAS: 587868-15-3
• 化学式: C₈H₃ClN₂OS
• 分子量: 210.644
• InChiKey: IQIDZWWVVPHQGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(3-chloro(thien-2-yl))hydroxymethylene]methane-1,1-dicarbonitrile 、 丙二腈 、 3-氯噻吩-2-甲酰氯 生成 2-(cyclopropyl(hydroxy)methylene)malononitrile
  参考文献：
  名称：

  Pyrrolopyrimidine thion derivatives

  摘要：

  具有GSK-3抑制功能的化合物。A1和A3是单键，脂肪烃基; A2和A4是单键，CO，COO，CONR，O，OCO，NR，NRCO，NRCOO等; G1是单键，脂肪烃，芳香烃，杂环; G2是氢原子，脂肪烃，脂环烃，芳香烃，杂环; A5是单键，NR; R2是H，卤素，脂肪烃，脂环烃，芳香烃，杂环; A6是单键，NR，CO，NRCO，NRCONR，CONR，COO，O等; R3是H，卤素，硝基，饱和脂肪烃，脂环烃，芳香烃，杂环; 当A6是CR═CR或C≡C时; R3可以是三甲基硅基，甲酰基，酰基，羧基，烷氧基羰基，氨基甲酰基或氰基; R为H或脂肪烃基。

  公开号：

  US20050153992A1

文献信息

• Pyrrolopyrimidine derivatives
  申请人：Kataoka Kenichiro

  公开号：US20050277773A1

  公开（公告）日：2005-12-15

  The invention provides pyrrolo[3,2-d]pyrimidine derivatives represented by formula (I), and their medically acceptable salts. The compounds of the invention exhibit GSK-3 inhibiting activity and are therefore expected to be useful as therapeutic or prophylactic agents for conditions in which GSK-3 is implicated, such as diabetes, diabetes complications, Alzheimer's disease, neurodegenerative diseases, manic depression, traumatic encephalopathy, alopecia, inflammatory diseases, cancer and immune deficiency.

  本发明提供了由式(I)表示的吡咯并[3,2-d]嘧啶衍生物及其医学上可接受的盐。本发明的化合物表现出GSK-3抑制活性，因此预计可用作治疗或预防与GSK-3有关的疾病的治疗或预防剂，例如糖尿病、糖尿病并发症、阿尔茨海默病、神经退行性疾病、躁郁症、创伤性脑病、脱发、炎症性疾病、癌症和免疫缺陷。
• Pyrrolopyrimidinone derivatives
  申请人：Tsutsumi Takaharu

  公开号：US20060160831A1

  公开（公告）日：2006-07-20

  A compound having GSK-3 inhibitory activity. A 1 and A 3 are a single bond, an aliphatic hydrocarbon group; A 2 and A 4 are a single bond, CO, COO, CONR, O, OCO, NR, NRCO, NRCOO, etc.; G 1 is a single bond, an aliphatic hydrocarbon, aromatic hydrocarbon, heterocyclic; G 2 is H, an aliphatic hydrocarbon, an alicyclic hydrocarbon, an aromatic hydrocarbon, heterocyclic; A 5 is a single bond, NR; R 2 is H, halogen, an aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; A 6 is a single bond, NR, CO, NRCO, NRCONR, CONR, COO, O, etc.; R 3 is H, halogen, nitro, saturated aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; and R 3 may be a trimethylsilyl, formyl, acyl, carboxyl, alkoxylcarbonyl, carbamoyl, alkylcarbamoyl, or cyano group when A 6 is CR═CR or C≡C, wherein R is H or an lower aliphatic hydrocarbon group.

  具有GSK-3抑制活性的化合物。A1和A3是单键，脂肪烃基; A2和A4是单键，CO，COO，CONR，O，OCO，NR，NRCO，NRCOO等; G1是单键，脂肪烃，芳香烃，杂环; G2是H，脂肪烃，脂环烃，芳香烃，杂环; A5是单键，NR; R2是H，卤素，脂肪烃，脂环烃，芳香烃，杂环; A6是单键，NR，CO，NRCO，NRCONR，CONR，COO，O等; R3是H，卤素，硝基，饱和脂肪烃，脂环烃，芳香烃，杂环; 当A6为CR═CR或C≡C时，R3可以是三甲基硅烷基，甲酰基，酰基，羧基，烷氧基羰基，氨基甲酰基，烷基氨甲酰基或氰基。其中R是H或低级脂肪烃基。
• Substituted pyrrolo[3,2-d]pyrimidine derivatives
  申请人：Teijin Pharma Limited

  公开号：US07557113B2

  公开（公告）日：2009-07-07

  A compound having GSK-3 inhibitory activity. A1 and A3 are a single bond, an aliphatic hydrocarbon group; A2 and A4 are a single bond, CO, COO, CONR, O, OCO, NR, NRCO, NRCOO, etc.; G1 is a single bond, an aliphatic hydrocarbon, aromatic hydrocarbon, heterocyclic; G2 is H, an aliphatic hydrocarbon, an alicyclic hydrocarbon, an aromatic hydrocarbon, heterocyclic; A5 is a single bond, NR; R2 is H, halogen, an aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; A6 is a single bond, NR, CO, NRCO, NRCONR, CONR, COO, O, etc.; R3 is H, halogen, nitro, saturated aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; and R3 may be a trimethylsilyl, formyl, acyl, carboxyl, alkoxylcarbonyl, carbamoyl, alkylcarbamoyl, or cyano group when A6 is CR═CR or C≡C, wherein R is H or an lower aliphatic hydrocarbon group.

  具有GSK-3抑制活性的化合物。A1和A3是单键，脂肪烃基；A2和A4是单键，CO，COO，CONR，O，OCO，NR，NRCO，NRCOO等；G1是单键，脂肪烃，芳香烃，杂环；G2是H，脂肪烃，脂环烃，芳香烃，杂环；A5是单键，NR；R2是H，卤素，脂肪烃，脂环烃，芳香烃，杂环；A6是单键，NR，CO，NRCO，NRCONR，CONR，COO，O等；R3是H，卤素，硝基，饱和脂肪烃，脂环烃，芳香烃，杂环；当A6为CR═CR或C≡C时，R3可以是三甲基硅烷基，甲酰基，酰基，羧基，烷氧基羰基，氨基甲酰基，烷基氨甲酰基或氰基，其中R是H或较低的脂肪烃基。
• PYRROLOPYRIMIDINE DERIVATIVES
  申请人：TEIJIN LIMITED

  公开号：EP1477489A1

  公开（公告）日：2004-11-17

  The invention provides pyrrolo[3,2-d]pyrimidine derivatives represented by formula (I), and their medically acceptable salts. The compounds of the invention exhibit GSK-3 inhibiting activity and are therefore expected to be useful as therapeutic or prophylactic agents for conditions in which GSK-3 is implicated, such as diabetes, diabetes complications, Alzheimer's disease, neurodegenerative diseases, manic depression, traumatic encephalopathy, alopecia, inflammatory diseases, cancer and immune deficiency.

  本发明提供了由式（I）代表的吡咯并[3,2-d]嘧啶衍生物及其医学上可接受的盐类。本发明的化合物具有 GSK-3 抑制活性，因此有望作为治疗或预防药物，用于治疗与 GSK-3 有关的疾病，如糖尿病、糖尿病并发症、阿尔茨海默病、神经退行性疾病、躁狂抑郁症、创伤性脑病、脱发、炎症性疾病、癌症和免疫缺陷。
• PYRROLOPYRIMIDINONE DERIVATIVE
  申请人：Teijin Pharma Limited

  公开号：EP1661897A1

  公开（公告）日：2006-05-31

  A compound having GSK-3 inhibitory activity. A1 and A3 are a single bond, an aliphatic hydrocarbon; A2 and A4 are a single bond, CO, COO, etc.; G1 is a single bond, an alicyclic hydrocarbon, aromatic hydrocarbon, etc.; G2 is H, an aliphatic hydrocarbon, an alicyclic hydrocarbon, an aromatic hydrocarbon, etc.; A5 is a single bond, NR; R2 is H, halogen, an aliphatic hydrocarbon, etc.; A6 is a single bond, NR, CO, etc.; R3 is H, halogen, nitro, saturated aliphatic hydrocarbon, etc.; and wherein R is H or an lower aliphatic hydrocarbon group.

  具有 GSK-3 抑制活性的化合物。 A1 和 A3 是单键、脂肪烃；A2 和 A4 是单键、CO、COO 等；G1 是单键、脂环烃、芳香烃等；G2 是 H、脂肪烃、脂环烃、芳香烃等。A5 是单键、NR；R2 是 H、卤素、脂肪烃等；A6 是单键、NR、CO 等；R3 是 H、卤素、硝基、饱和脂肪烃等；其中 R 是 H 或低级脂肪烃基。