methanesulfonic acid 2-(4-fluoro-2-methoxy-phenyl)-ethyl ester | 589755-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methanesulfonic acid 2-(4-fluoro-2-methoxy-phenyl)-ethyl ester
• 英文别名: 2-[4-fluoro-2-(methyloxy)phenyl]ethyl methanesulphonate；Methanesulfonic acid 2-(4-fluoro-2-methoxy-phenyl)-ethyl ester；2-(4-fluoro-2-methoxyphenyl)ethyl methanesulfonate
• CAS: 589755-58-8
• 化学式: C₁₀H₁₃FO₄S
• 分子量: 248.275
• InChiKey: FFNHAPICNDDQAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 2-(4-fluoro-2-methoxy-phenyl)-ethyl ester 、 7-(pyrimidin-4-yl)-1 H-imidazo[1,2-a]pyrimidin-5-one 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-(4-Fluoro-2-methoxy-phenyl)-ethyl]-7-(pyrimidin-4-yl)-1 H-imidazo[1,2-a]pyrimidin-5-one
  参考文献：
  名称：

  1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-(pyrimidin-4-yl)-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives

  摘要：

  本发明涉及一种由式(I)表示的咪唑并[1,2-a]嘧啶酮衍生物或其盐： 其中，X代表一个键，一个乙烯基，一个乙炔基，一个甲基基团可选择性地被取代的羰基，一个氧原子，一个硫原子，一个磺酰基，一个亚磺酸基或一个氮原子，R1代表一个选择性取代的2、4或5-嘧啶基，R2代表一个C1-6烷基，一个C1-2全氟烷基，一个C1-3卤代烷基，一个苄基，一个苯环，一个萘环，5,6,7,8-四氢萘环，一个吡啶环，一个吲哚环，一个吡咯环，一个噻吩环，一个呋喃环或一个咪唑环，其中苄基和环可选择性地被取代，n代表0到3。 本发明还涉及一种药物，其包含所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活动引起的神经退行性疾病，例如阿尔茨海默病。

  公开号：

  EP1340759A1
• 作为产物：
  描述：

  2-(4-氟-2-甲氧基苯基)乙醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以7g(100%)的产率得到methanesulfonic acid 2-(4-fluoro-2-methoxy-phenyl)-ethyl ester
  参考文献：
  名称：

  1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-(pyrimidin-4-yl)-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives

  摘要：

  本发明涉及一种由式(I)表示的咪唑并[1,2-a]嘧啶酮衍生物或其盐： 其中，X代表一个键，一个乙烯基，一个乙炔基，一个甲基基团可选择性地被取代的羰基，一个氧原子，一个硫原子，一个磺酰基，一个亚磺酸基或一个氮原子，R1代表一个选择性取代的2、4或5-嘧啶基，R2代表一个C1-6烷基，一个C1-2全氟烷基，一个C1-3卤代烷基，一个苄基，一个苯环，一个萘环，5,6,7,8-四氢萘环，一个吡啶环，一个吲哚环，一个吡咯环，一个噻吩环，一个呋喃环或一个咪唑环，其中苄基和环可选择性地被取代，n代表0到3。 本发明还涉及一种药物，其包含所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活动引起的神经退行性疾病，例如阿尔茨海默病。

  公开号：

  EP1340759A1

文献信息

• PIPERIDINYLALKYLCARBAMATE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS
  申请人：ABOUABDELLAH Ahmed

  公开号：US20070021403A1

  公开（公告）日：2007-01-25

  The present invention comprises peridinylalkylcarbamate derivatives, methods for their preparation and the therapeutic use thereof as fatty acid amido hydrolase (FAAH) enzyme inhibitors. These derivatives exert various pharmacological activities by interacting, inter alia, with cannabinoid and vanilloid receptors. By inhibiting the metabolic activity of the FAAH enzyme, compounds often responsible for the onset of a large variety of diseases and other pathological conditions are not generated and the incidence of the disease is greatly reduced.

  本发明涵盖了吡啶基烷基氨基甲酸酯衍生物，其制备方法以及将其作为脂肪酸酰胺水解酶（FAAH）酶抑制剂的治疗用途。这些衍生物通过与大麻素和辣椒素受体等相互作用，发挥各种药理活性。通过抑制FAAH酶的代谢活性，通常导致多种疾病和其他病理情况发生的化合物不会生成，疾病的发病率大大降低。
• 1-[alkyl 1-[heteroaryl )alkyl] and 1-[ aryl) alkyl]-7-( pyrimidin-4-yl) imadazo [1,2-a] pyrimidin-5(1h)-one derivatives
  申请人：Lochead Alistair

  公开号：US20050119280A1

  公开（公告）日：2005-06-02

  The invention relates to a imidazo[1,2- a ]pyrimidone derivative represented by formula (I) or a salt thereof: R 1 wherein X represents a bond, an ethenylene group, an ethenylene group, a methylene group optionally substituted; a carbonyl group, an oxygen atom, a sulfur atom, a sulfonyl group, a sulfoxide group or a nitrogen atom being optionally substituted; R 1 represents a 2, 4 or 5-pyrimidinyl optionally substituted; R 2 represents a C 1-6 alkyl group, a C 1-2 perhalogenated alkyl group,a C 1-3 halogenated alkyl group, a benzyl group, a benzene ring, a naphthalene ring, 5,6,7,8-tetrahydronaphthalene ring, a pyridine ring, an indole ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring, the benzyl group and the rings being optionally substituted; and n represents 0 to 3. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β, such as Alzheimer disease.

  本发明涉及一种咪唑并[1,2-a]嘧啶酮衍生物，其由式(I)或其盐表示：R1其中，X表示键，乙烯基，乙烯基，亚甲基（可选取代），羰基，氧原子，硫原子，磺酰基，亚磺酰基，或氮原子（可选取代）；R1表示2，4或5-嘧啶基（可选取代）；R2表示C1-6烷基，C1-2全氟烷基，C1-3卤代烷基，苄基，苯环，萘环，5,6,7,8-四氢萘环，吡啶环，吲哚环，吡咯环，噻吩环，呋喃环或咪唑环，苄基和环可选取代；n表示0至3。本发明还涉及一种药物，其包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活性引起的神经退行性疾病，如阿尔茨海默病。
• Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders
  申请人：——

  公开号：US20040266793A1

  公开（公告）日：2004-12-30

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof wherein: X represents two hydrogen atoms, a sulphur atom, an oxygen atom or a C 1-2 alkyl group and a hydrogen atom; y represents a bond, an ethenylene group, an ethynylene group, an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a nitrogen atom being optionally; or a methylene group optionally substituted; R1 represents a pyrimidine group optionally substituted; R2 may represent a C 1-6 alkyl group optionally substituted by a C 6,10 aryloxy or a C 6,10 arylamino group; a C 3-6 cycloalkyl group, a C 1-4 alkylthio group, a C 1-4 alkoxy group, a C 1-2 perhalogenated alkyl group, a C 1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a benzene ring, an indan ring, a 5,6,7,8-tetrahydronaphthalene ring, a naphthalene ring, a pyridine ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring; R3 and R4 represents each independently a hydrogen atom, C 1-6 alkyl group, a hydroxy group, a C 1- 4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C 1-6 alkyl group or a halogen atom. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3&bgr;3 or GSK3&bgr;3 and cdk5/p25, such as Alzheimer disease. 1

  本发明涉及一种由式（I）表示的嘧啶酮衍生物或其盐，其中：X代表两个氢原子，硫原子，氧原子或C1-2烷基和氢原子；y代表键，乙烯基，乙炔基，氧原子，硫原子，磺酰基，亚磺酸基，羰基，氮原子（可选）或取代的亚甲基基团；R1表示可选取代的嘧啶基团；R2可以代表C1-6烷基，可选地被C6,10芳氧基或C6,10芳基氨基基团取代；C3-6环烷基，C1-4烷基硫基，C1-4烷氧基，C1-2全氟烷基，C1-3卤代烷基，苯硫基，苄基，苯环，茚环，5,6,7,8-四氢萘环，萘环，吡啶环，吡咯环，噻吩环，呋喃环或咪唑环；R3和R4各自独立地表示氢原子，C1-6烷基，羟基，C1-4烷氧基或卤素原子；R5表示氢原子，C1-6烷基或卤素原子。本发明还涉及一种药物，其中包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β3或GSK3β3和cdk5/p25的异常活性引起的神经退行性疾病，例如阿尔茨海默病。
• Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives
  申请人：Gallet Thierry

  公开号：US20050049261A1

  公开（公告）日：2005-03-03

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof wherein X represents two hydrogen atoms, a sulfur atom, an oxygen atom or a C 1-2 alkyl group and a hydrogen atom; Y represents a bond, an ethenylene group, an ethynylene group an oxygen atom, a sulfur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a hydroxyiminomethylene group, a dioxolan group, a nitrogen atom being optionally substituted; or a methylene group optionally substituted; or a methylene group optionally substituted; R1 represents a 2, 3 or 4-pyridine ring optionally substituted; R2 may represent a C 1-6 alkyl group optionally; a C 3-6 cycloalkyl group, a C 1-4 alkythio group, a C 1-4 alkoxy group, a C 1-2 perhalogenated alkyl group, a C 1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a benzene ring, an indan ring, a 5,6,7,8-tetrahydronaphthalene ring, a naphthalene ring, a pyridine ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring; R3 and R4 represent, each independently, a hydrogen atom, a C 1-6 alkyl group, a hydroxy group, a C 1-4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C 1-6 alkyl group or a halogen atom; with the proviso that when R3 and R4 represent each a hydrogen atom then R5 is not a hydrogen atom. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β or GSK3β, and cdk5/p25, such as Alzheimer disease.

  本发明涉及一种由式(I)表示的嘧啶酮衍生物或其盐，其中X代表两个氢原子，硫原子，氧原子或C1-2烷基基团和一个氢原子；Y代表键，乙烯基团，乙炔基团，氧原子，硫原子，磺酰基，亚磺酸基，羰基，羟亚胺亚甲基基团，二氧杂环己烷基团，氮原子可选地取代；或取代的亚甲基基团；R1表示可选地取代的2、3或4-吡啶环；R2可以表示可选的C1-6烷基基团；C3-6环烷基团，C1-4烷硫基团，C1-4烷氧基团，C1-2全氟烷基团，C1-3卤代烷基团，苯硫基团，苯甲基基团，苯环，茚环，5,6,7,8-四氢萘环，萘环，吡啶环，吡咯环，噻吩环，呋喃环或咪唑环；R3和R4分别表示氢原子，C1-6烷基基团，羟基，C1-4烷氧基团或卤素原子；R5表示氢原子，C1-6烷基基团或卤素原子；但是当R3和R4分别表示氢原子时，R5不是氢原子。本发明还涉及一种药物，其包含所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β或GSK3β和cdk5/p25的异常活动引起的神经退行性疾病，如阿尔茨海默病。
• USE OF 7-(PYRIMIDIN-4 YL)-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONES AS GSK-3BETA INHIBITORS
  申请人：LOCHEAD Alistair

  公开号：US20080318980A1

  公开（公告）日：2008-12-25

  The invention relates to a imidazo[1,2-a]pyrimidone derivative represented by formula (I) or a salt thereof: Wherein: X represents a bond, an ethenylene group, an ethynylene group, a methylene group optionally substituted; a carbonyl group, an oxygen atom, a sulfur atom, a sulfonyl group, a sulfoxide group or a nitrogen atom being optionally substituted; R1 represents a 2, 4 or 5-pyrimidinyl optionally substituted; R2 represents a C 1-6 alkyl group, a C 1-2 perhalogenated alkyl group, a C 1-3 halogenated alkyl group, a benzyl group, a benzene ring, a naphthalene ring, 5,6,7,8-tetrahydronaphthalene ring, a pyridine ring, an indole ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring, the benzyl group and the rings being optionally substituted; and n represents 0 to 3. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β, such as Alzheimer disease.

  本发明涉及一种以公式（I）表示的咪唑并[1,2-a]嘧啶酮衍生物或其盐：其中：X代表键，乙烯基，乙炔基，甲基基团（可选地取代），羰基基团，氧原子，硫原子，磺酰基团，亚磺酰基团或氮原子（可选地取代）；R1代表2,4或5-嘧啶基（可选地取代）；R2代表C1-6烷基，C1-2全氟烷基，C1-3卤代烷基，苄基，苯环，萘环，5,6,7,8-四氢萘环，吡啶环，吲哚环，吡咯环，噻吩环，呋喃环或咪唑环，其中苄基和环可选地取代；n代表0到3。本发明还涉及一种药物，其包含上述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活性引起的神经退行性疾病，如阿尔茨海默病。