N-{4-[2-(3-Fluoro-phenyl)-ethyl]-phenyl}-malonamic acid methyl ester | 630413-56-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: N-{4-[2-(3-Fluoro-phenyl)-ethyl]-phenyl}-malonamic acid methyl ester
• 英文别名: N-{4-[2-(3-fluorophenyl)ethyl]phenyl}malonamic acid methyl ester；Methyl 3-[4-[2-(3-fluorophenyl)ethyl]anilino]-3-oxopropanoate
• CAS: 630413-56-8
• 化学式: C₁₈H₁₈FNO₃
• 分子量: 315.344
• InChiKey: NUNSAKIIKWVDMF-UHFFFAOYSA-N

物化性质

• 沸点：
  470.3±40.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-[2-(3-fluoro-phenyl)-ethyl]-phenylamine 、 2-methylmalonyl dichloride 以95%的产率得到N-{4-[2-(3-Fluoro-phenyl)-ethyl]-phenyl}-malonamic acid methyl ester
  参考文献：
  名称：

  N-acylamino benzyl ether derivatives

  摘要：

  这项发明涉及公式1的N-酰氨基芳基衍生物，其中R1、R21、R22、R23、R3、R4、R5、R6、R7、R8、R和n如本文所定义，且X为—CHRO、—OCHR—、—CH2S—、—SCH2—、—CH2CH2—、—CH═CH—或—C≡C—。该发明的化合物是选择性的单胺氧化酶B抑制剂，因此它们在治疗由单胺氧化酶B介导的疾病中具有用途，例如用于治疗阿尔茨海默病或老年性痴呆症。

  公开号：

  US20030232883A1

文献信息

• [EN] N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS<br/>[FR] DERIVES DE N-ACYLAMINOBENZENE COMME INHIBITEURS DE LA MONOAMINE OXYDASE B SELECTIFS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003099763A1

  公开（公告）日：2003-12-04

  This invention relates to N-acylamino aryl derivatives of the general formula (I), wherein R1 is halogen, halogen-(C1-C6)-alkyl, cyano, C1-C6-alkoxy or halogen-(C1-C6)-alkoxy; R21, R22, R23 and R24 independently from each other are selected from the group consisting of hydrogen, (C1-C6)-alkyl, halogen, halogen-(C1-C6)-alkyl, hydroxy, C1-C6-alkoxy or -CHO; R3 is hydrogen or C1-C3-alkyl; R4, R5 independently from each other are selected from the group consisting of hydrogen, C1-C6-alkyl, C1-C6-alkoxy or -COO(C1-C6)alkyl; or R4 and R5 form together with the C-atom to which they are attach a C3-C7-cycloalkyl ring; R6 is -CO-NR7R8; -COO(C1-C6)-alkyl, -CN, -NR2 or -NHC(O)R; R7 and R8 independently from each other are selected from the group consisting of hydrogen, C1-C6-alkyl, NH2 or hydroxy; R is hydrogen or C1-C6-alkyl; n is 0, 1, 2 or 3. X is -CHRO, -OCHR, -CH2S-, -SCH2-, -CH2CH2-, -CH=CH- or -C≡C-; and to pharmaceutically active acid addition salts thereof. It has been found that the compounds of general formula (I) are selective monoamine oxidase B inhibitors and they are therefore useful in the treatment of diseases mediated by monoamine oxidase B inhibitors, for example for the treatment of Alzheimer’s disease or senile dementia.

  这项发明涉及一般式(I)的N-酰氨基芳基衍生物，其中R1是卤素，卤代-(C1-C6)-烷基，氰基，C1-C6-烷氧基或卤代-(C1-C6)-烷氧基；R21、R22、R23和R24彼此独立地选自氢，(C1-C6)-烷基，卤素，卤代-(C1-C6)-烷基，羟基，C1-C6-烷氧基或-CHO的群；R3是氢或C1-C3-烷基；R4、R5彼此独立地选自氢，C1-C6-烷基，C1-C6-烷氧基或-COO(C1-C6)烷基的群；或R4和R5与它们连接的C原子一起形成一个C3-C7-环烷基环；R6是-CO-NR7R8；-COO(C1-C6)-烷基，-CN，-NR2或-NHC(O)R；R7和R8彼此独立地选自氢，C1-C6-烷基，NH2或羟基；R是氢或C1-C6-烷基；n为0、1、2或3。X是-CHRO，-OCHR，-CH2S-，-SCH2-，-CH2CH2-，-CH=CH-或-C≡C-；以及其药用活性酸盐。已发现一般式(I)的化合物是选择性单胺氧化酶B抑制剂，因此它们在治疗由单胺氧化酶B抑制剂介导的疾病中很有用，例如用于治疗阿尔茨海默病或老年性痴呆症。
• N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1511718B1

  公开（公告）日：2009-05-06
• MAO-B INHIBITORS USEFUL FOR TREATING OBESITY
  申请人：McElroy Francis John

  公开号：US20070078172A1

  公开（公告）日：2007-04-05

  The invention provides a method of treating obesity, diabetes, and/or cardiometabolic disorders (e.g., hypertension, dyslipidemias, high blood pressure, and insulin resistance) in a mammal by administering to the mammal a therapeutically effective amount of an irreversible MAO-B inhibitor.
• US6762320B2
  申请人：——

  公开号：US6762320B2

  公开（公告）日：2004-07-13
• US7053245B2
  申请人：——

  公开号：US7053245B2

  公开（公告）日：2006-05-30