2-(1-Hydroxy-2-phenylethylidene)malononitrile | 40798-11-6

• 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: 2-(1-Hydroxy-2-phenylethylidene)malononitrile
• 英文别名: (1-hydroxy-2-phenylethylidene)malononitrile；(1-hydroxy-2-phenylethylidene)methane-1,1-dicarbonitrile；Benzyl-hydroxy-methylen-malonsaeure-dinitril；2-(1-hydroxy-2-phenylethylidene)propanedinitrile
• CAS: 40798-11-6
• 化学式: C₁₁H₈N₂O
• 分子量: 184.197
• InChiKey: WASQDKDGTMGHSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-Hydroxy-2-phenylethylidene)malononitrile 在 五氯化磷 作用下， 以 苯 为溶剂， 生成 2-(1-Chloro-2-phenyl-ethylidene)-malononitrile
  参考文献：
  名称：

  Aktivierte Äthylene; IV¹. Synthese elektronegativ substituierter 2-Chloroalkene

  摘要：

  DOI：

  10.1055/s-1973-22143
• 作为产物：
  描述：

  苯乙酰氯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 50.0h， 生成 2-(1-Hydroxy-2-phenylethylidene)malononitrile
  参考文献：
  名称：

  EP1477489

  摘要：

  公开号：

文献信息

• Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction
  申请人：Pfizer Inc.

  公开号：US06407114B1

  公开（公告）日：2002-06-18

  There is provided compounds of formula IA and of formula IB, wherein R1, R2, R3, R4 and A have meanings given in the description, which are useful in the curative and prophylactic treatment of a medical condition for which inhibition of a cyclic guanosine 3′,5′-monophosphate phosphodiesterase (e.g. cGMP PDE5) is desired.

  提供了式IA和式IB的化合物， 其中R1、R2、R3、R4和A的含义如描述中所示，在治疗和预防需要抑制环状鸟苷3′,5′-单磷酸酯酶（例如cGMP PDE5）的医疗状况中非常有用。
• 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-ones and compositions and
  申请人：Sterling Winthrop Inc.

  公开号：US05294612A1

  公开（公告）日：1994-03-15

  Novel 6-heterocyclyl-pyrazolo[3,4-d]pyrimidin-4-ones, useful in treating cardiovascular disease, are prepared by reacting a 5-amino-1H-pyrazole-4-carboxamide with heterocyclylcarboxaldehyde or by reacting a 5-amino-1H-pyrazole-4-carbonitrile with a heterocyclylcarboxamidine, followed by diazotization and hydrolysis of the resulting 4-amino-6-heterocyclyl-pyrazolo[3,4-d]pyrimidine.

  新型6-杂环基嘧啶并[3,4-d]嘧啶-4-酮，用于治疗心血管疾病，通过将5-氨基-1H-嘧啶-4-甲酰胺与杂环基羰基或将5-氨基-1H-嘧啶-4-碳腈与杂环基羧酰胺反应制备，随后对所得的4-氨基-6-杂环基嘧啶并[3,4-d]嘧啶进行重氮化和水解。
• 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。
• 6-heterocycyclyl pyrazolo[3,4-d]pyrimidin-4-ones and compositions and
  申请人：Sterling Winthrop Inc.

  公开号：US05541187A1

  公开（公告）日：1996-07-30

  Novel 6-heterocyclyl-pyrazolo[3,4-d]pyrimidin-4-ones, useful in treating cardiovascular disease, are prepared by reacting a 5-amino-1H-pyrazole-4-carboxamide with heterocyclyl-carboxaldehyde or by reacting a 5-amino-1H-pyrazole-4-carbonitrile with a heterocyclylcarboxamidine, followed by diazotization and hydrolysis of the resulting 4-amino-6-heterocyclyl-pyrazolo[3,4-d]pyrimidine.

  用于治疗心血管疾病的新型6-杂环基吡唑并[3,4-d]嘧啶-4-酮，通过将5-氨基-1H-吡唑-4-甲酰胺与杂环基羰基醛反应或将5-氨基-1H-吡唑-4-碳腈与杂环基羧酰胺反应，随后进行重氮化和水解，制备得到4-氨基-6-杂环基吡唑并[3,4-d]嘧啶。
• Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors
  申请人：Teijin Limited

  公开号：US07528140B2

  公开（公告）日：2009-05-05

  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GSK-3涉及的疾病的治疗或预防剂，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。