1-(m-trifluoromethylphenyl)-3-bromo-2-pyrrolidone | 69949-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(m-trifluoromethylphenyl)-3-bromo-2-pyrrolidone
• 英文别名: (RS)-3-Bromo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one；3-bromo-1-[3-(triftuoromethyl)-phenyl]-pyrrolidin-2-one；3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
• CAS: 69949-67-3
• 化学式: C₁₁H₉BrF₃NO
• mdl: MFCD00219326
• 分子量: 308.098
• InChiKey: FBWCCKYAGCRWTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-amino-5-cyano-6-(methylthio)-4(3H)-pyrimidinethione 、 1-(m-trifluoromethylphenyl)-3-bromo-2-pyrrolidone 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到2-amino-4-methylsulfanyl-6-[2-oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylsulfanyl]-pyrimidine-5-carbonitrile
  参考文献：
  名称：

  [EN] P70S6 KINASE MODULATORS AND METHOD OF USE
  [FR] MODULATEURS DES P70S6 KINASES ET PROCEDE D'UTILISATION

  摘要：

  公开号：

  WO2005039506A3
• 作为产物：
  描述：

  N-[3-(trifluoromethyl)phenyl]-2,4-dibromobutanamide 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 2.0h， 以0.64 mg的产率得到1-(m-trifluoromethylphenyl)-3-bromo-2-pyrrolidone
  参考文献：
  名称：

  NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS

  摘要：

  本发明涉及新颖的Formula (I)中的取代吡啶哌唑酮衍生物，其中R1、R2、R3、R4、R5、L、Z和X的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包含上述化合物作为活性成分的药物组合物，以及将这些化合物用作药物的用途。

  公开号：

  US20180319797A1

文献信息

• [EN] NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS<br/>[FR] DÉRIVÉS SUBSTITUÉS DE PYRIDO-PIPÉRAZINONE D'UN NOUVEAU TYPE EN TANT QUE MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2014111457A1

  公开（公告）日：2014-07-24

  The present invention is concerned with novel substituted pyrido-piperazinone derivatives of Formula (I) wherein R1, R2, R3, R4, R5, L, Z and X have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及新颖的Formula (I)中R1、R2、R3、R4、R5、L、Z和X所定义含义的取代吡啶哌唑酮衍生物。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包含该化合物作为活性成分的药物组合物，以及将该化合物用作药物的用途。
• Cephalosporin derivatives
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0761673A1

  公开（公告）日：1997-03-12

  The present invention relates to cephalosporin derivatives of the general formula I wherein R1is a group selected from 2-, 3- and 4-hydroxyphenyl, 2- and 3-methoxyphenyl, 4-carboxyphenyl, 4-carbamoylphenyl, 3-trifluoromethylphenyl, 2- and 3-fluorophenyl, 3-nitrophenyl, 3-fluoro-4-hydroxyphenyl, 2-fluoro-4-hydroxyphenyl, 3-fluoro-2-hydroxyphenyl, 3-, 4-dihydroxyphenyl, benzyl, -CHR-phenyl, 3-hydroxybenzyl, 4-aminobenzyl, 2-, 3- and 4-fluorobenzyl, 2-, 3- and 4-methoxybenzyl, 4-nitrobenzyl, 4-carboxybenzyl, 4-trifluoromethylbenzyl, 1-naphthyl and 2-naphthyl, all hydroxy, amino, carboxy and carbamoyl substituents optionally being substituted, or is pyridinyl mono-substituted with halogen, pyrimidyl, pyrazinyl di-substituted with lower alkyl, pyridazinyl mono-substituted with halogen, piperidinyl in which the amino group may be substituted by an acyl group, thiadiazolyl, oxo-tetrahydrofuranyl, thiophenyl mono-substituted with lower alkoxycarbonyl or carbamoyl, tetrazolyl-lower alkyl, tetrahydrofuranyl-lower alkyl, thiophenyl-lower alkyl or benzimidazolyl-lower alkyl; and Ris carboxy or esterified carboxy; readily hydrolyzable esters thereof, pharmaceutically acceptable salts of said compounds and hydrates of the compounds of formula I and of their esters and salts, as well as the their use and the process for manufacturing such compounds.

  本发明涉及公式I的头孢菌素衍生物，其中R1是从2-、3-和4-羟基苯基、2-和3-甲氧基苯基、4-羧基苯基、4-氨基甲酰基苯基、3-三氟甲基苯基、2-和3-氟苯基、3-硝基苯基、3-氟-4-羟基苯基、2-氟-4-羟基苯基、3-氟-2-羟基苯基、3-、4-二羟基苯基、苄基、-CHR-苯基、3-羟基苄基、4-氨基苄基、2-、3-和4-氟苄基、2-、3-和4-甲氧基苄基、4-硝基苄基、4-羧基苄基、4-三氟甲基苄基、1-萘基和2-萘基中选择的基团，所有羟基、氨基、羧基和氨甲酰基取代基均可取代，或是单卤代的吡啶基、嘧啶基、二取代的吡嗪基、单卤代的吡嗪基、哌啶基，其中氨基基团可以被酰基取代，噻二唑基、氧代四氢呋喃基、单取代的噻吩基，取代基为低碳基氧羰基或氨甲酰基，四氮唑基-低碳基，四氢呋喃基-低碳基，噻吩基-低碳基或苯并咪唑基-低碳基；和R是羧基或酯化羧基；这些化合物的容易水解的酯，其药学上可接受的盐以及公式I和其酯和盐的化合物的水合物，以及它们的使用和制造这些化合物的过程。
• P70S6 Kinase Modulators And Method Of Use
  申请人：Cheng Wei

  公开号：US20070208020A1

  公开（公告）日：2007-09-06

  The invention provides compounds and methods for inhibition of kinases, more specifically p70S6 kinases. The invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration, chemoinvasion and metabolism. Compounds of the invention inhibit, regulate and/or modulate kinase receptor signal transduction pathways related to the changes in cellular activities as mentioned above, and the invention includes compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions.

  本发明提供了用于抑制激酶的化合物和方法，更具体地是p70S6激酶。本发明提供了用于调节蛋白激酶酶活性以调节细胞活动的化合物，例如增殖、分化、程序性细胞死亡、迁移、化学侵袭和代谢。本发明的化合物抑制、调节和/或调节与上述细胞活动相关的激酶受体信号转导途径，并且本发明包括含有这些化合物的组合物以及使用它们治疗激酶依赖性疾病和病况的方法。
• P70S6 kinase modulators and method of use
  申请人：Exelixis, Inc.

  公开号：US07816353B2

  公开（公告）日：2010-10-19

  Compounds of formula III: wherein R5a, R3, X, Y, Q, R1a and R1b are as defined in the specification, pharmaceutically acceptable salts thereof, and methods of use thereof.

  公式III的化合物：其中R5a，R3，X，Y，Q，R1a和R1b的定义如规范所述，其药学上可接受的盐，以及其使用方法。
• P70S6 Kinase Modulators and Method of Use
  申请人：Cheng Wei

  公开号：US20110021525A1

  公开（公告）日：2011-01-27

  The invention provides compounds and methods for inhibition of kinases, more specifically p70S6 kinases. The invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration, chemoinvasion and metabolism. Compounds of the invention inhibit, regulate and/or modulate kinase receptor signal transduction pathways related to the changes in cellular activities as mentioned above, and the invention includes compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions.

  本发明提供了抑制激酶（更具体地说是p70S6激酶）的化合物和方法。本发明提供了用于调节蛋白激酶酶活性以调节细胞活动（如增殖、分化、程序性细胞死亡、迁移、化学入侵和代谢）的化合物。本发明的化合物抑制、调节和/或调节与上述细胞活动相关的激酶受体信号转导途径，并包括含有这些化合物的组合物和使用它们治疗激酶依赖性疾病和病况的方法。