2-(烯丙氧基)乙基3,5-二氰基-4-[[4-[乙基(3-甲氧基-3-羰基丙基)氨基]苯基]偶氮]苯酸酯 | 88327-86-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(烯丙氧基)乙基3,5-二氰基-4-[[4-[乙基(3-甲氧基-3-羰基丙基)氨基]苯基]偶氮]苯酸酯
• 中文别名: 六氢-2-甲基-吡咯并[1,2-a]吡嗪-1(2H)-酮
• 英文名称: 4-methyl-1,4-diazabicyclo<4.3.0>nonan-5-one
• 英文别名: 2-Methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
• CAS: 88327-86-0
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: SOTGJIQEPYQCPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  3,4-二氢-2H-吡咯并[1,2-a]吡嗪-1-酮 、 碘甲烷 在 sodium hydride 作用下， 生成 2-(烯丙氧基)乙基3,5-二氰基-4-[[4-[乙基(3-甲氧基-3-羰基丙基)氨基]苯基]偶氮]苯酸酯
  参考文献：
  名称：

  Shukla, U. K.; Khanna, J. M.; Sharma, Satyavan, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 7, p. 664 - 668

  摘要：

  DOI：

文献信息

• PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3
  申请人：Desai C. Manoj

  公开号：US20070244109A1

  公开（公告）日：2007-10-18

  New pyrrole based compounds, compositions and methods of inhibiting the activity of glycogen synthase kinase (GSK3) in vitro and of treatment of GSK3 mediated disorders in vivo are provided. The methods, compounds and compositions of the invention may be employed alone, or in combination with other pharmacologically active agents in the treatment of disorders mediated by GSK3 activity, such as diabetes, Alzheimer's disease and other neurodegenerative disorders, obesity, atherosclerotic cardiovascular disease, essential hypertension, polycystic ovary syndrome, syndrome X, ischemia, traumatic brain injury, bipolar disorder, immunodeficiency or cancer.

  提供了基于新的吡咯基化合物、组合物和方法，用于体外抑制糖原合成酶激酶(GSK3)的活性和治疗GSK3介导的疾病。该发明的方法、化合物和组合物可单独应用，或与其他药理活性剂联合治疗GSK3活性介导的疾病，如糖尿病、阿尔茨海默病和其他神经退行性疾病、肥胖症、动脉粥样硬化性心血管疾病、原发性高血压、多囊卵巢综合征、X综合征、缺血、创伤性脑损伤、双相情感障碍、免疫缺陷或癌症。
• Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20100152175A1

  公开（公告）日：2010-06-17

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: X represents a nitrogen atom; Y represents —C(H 2 )—, (—C(H 2 )—) 2 , —S(O 2 )— or —C(═O)—; Z represents —C(H 2 )—, —S(O 2 )—, —N(R z )—, or an oxygen or sulphur atom; A represents hydrogen or —CH 2 OH; R z represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy, —COR 7 or —SO 2 R 7 ; R 1 represents halogen, C 1-6 alkyl, C 1-6 alkoxy, ═O, haloC 1-6 alkyl, haloC 1-6 alkoxy, hydroxyl or —CH 2 OH; m represents an integer from 0 to 3; R 2 represents halogen, ═O, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), —COOR 7 , —CONR 7 R 8 , C 1-6 alkoxy, haloC 1-6 alkyl, haloC 1-6 alkoxy or C 1-6 alkylOC 1-6 alkyl; n represents an integer from 0 to 3; p and q independently represent an integer from 0 to 2; R 3 represents an -aryl, -heteroaryl, -heterocyclyl, -aryl-aryl, -aryl-heteroaryl, -aryl-heterocyclyl, -heteroaryl-aryl, -heteroaryl-heteroaryl, -heteroaryl-heterocyclyl, -heterocyclyl-aryl, -heterocyclyl-heteroaryl or -heterocyclyl-heterocyclyl group, all of which may be optionally substituted by one or more (e.g. 1, 2 or 3) halogen, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), C 3-8 cycloalkyl, C 1-6 alkoxy, hydroxyl, haloC 1-6 alkyl, haloC 1-6 alkoxy, cyano, —S—C 1-6 alkyl, —SO—C 1-6 alkyl, —SO 2 —C 1-6 alkyl, —COR 7 , —CONR 7 R 8 , —NR 7 R 8 , —NR 7 COC 1-6 alkyl, —NR 7 SO 2 —C 1-6 alkyl, C 1-6 alkyl-NR 7 R 8 , —OCONR 7 R 8 , —NR 7 CO 2 R 8 or —SO 2 NR 7 R 8 groups; R 4 and R 5 independently represent C 1-6 alkyl, or R 4 and R 5 together with the carbon atom to which they are attached may together form a C 3-8 cycloalkyl group; R 6 represents halogen, C 1-6 alkyl, C 3-8 cycloalkyl, C 1-6 alkoxy, haloC 1-6 alkyl or haloC 1-6 alkoxy; s represents an integer from 0 to 4; R 7 and R 8 independently represent hydrogen, C 1-6 alkyl or C 3-8 cycloalkyl; or solvates thereof.

  根据本发明提供了式(I)的新化合物或其药学上可接受的盐： 其中， X代表氮原子； Y代表—C(H2)—、(—C(H2)—)2、—S(O2)—或—C(═O)—； Z代表—C(H2)—、—S(O2)—、—N(Rz)—或氧或硫原子； A代表氢或—CH2OH； Rz代表氢、C1-6烷基、C1-6烷氧基、—COR7或—SO2R7； R1代表卤素、C1-6烷基、C1-6烷氧基、═O、haloC1-6烷基、haloC1-6烷氧基、羟基或—CH2OH； m表示从0到3的整数； R2代表卤素、═O、C1-6烷基（可选地被一个或多个羟基取代）、—COOR7、—CONR7R8、C1-6烷氧基、haloC1-6烷基、haloC1-6烷氧基或C1-6烷氧基C1-6烷基； n表示从0到3的整数； p和q独立地表示从0到2的整数； R3代表-芳基、-杂环芳基、-杂环环基、-芳基-芳基、-芳基-杂环芳基、-芳基-杂环环基、-杂环芳基-芳基、-杂环芳基-杂环芳基、-杂环芳基-杂环环基、-杂环环基-芳基、-杂环环基-杂环芳基或-杂环环基-杂环环基基团，所有这些基团都可以选择性地被一个或多个（例如1、2或3个）卤素、C1-6烷基（可选地被一个或多个羟基取代）、C3-8环烷基、C1-6烷氧基、羟基、haloC1-6烷基、haloC1-6烷氧基、氰基、—S—C1-6烷基、—SO—C1-6烷基、—SO2—C1-6烷基、—COR7、—CONR7R8、—NR7R8、—NR7COC1-6烷基、—NR7SO2—C1-6烷基、C1-6烷基-NR7R8、—OCONR7R8、—NR7CO2R8或—SO2NR7R8基团取代； R4和R5独立地代表C1-6烷基，或者R4和R5与它们所连接的碳原子一起可以形成C3-8环烷基； R6代表卤素、C1-6烷基、C3-8环烷基、C1-6烷氧基、haloC1-6烷基或haloC1-6烷氧基； s表示从0到4的整数； R7和R8独立地代表氢、C1-6烷基或C3-8环烷基； 或其溶剂化合物。
• SHUKLA, U. K.;KHANNA, J. M.;SHARMA, SATYAVAN;ANAND, NITYA;CHATTERJEE, R. +, INDIAN J. CHEM., 1983, 22, N 7, 664-668
  作者：SHUKLA, U. K.、KHANNA, J. M.、SHARMA, SATYAVAN、ANAND, NITYA、CHATTERJEE, R. +

  DOI：——

  日期：——
• PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6
  申请人：Novartis AG

  公开号：EP2536730B1

  公开（公告）日：2015-07-08
• US7250443B2
  申请人：——

  公开号：US7250443B2

  公开（公告）日：2007-07-31