1-哌嗪基[4-(三氟甲基)苯基]甲酮 | 179334-12-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-哌嗪基[4-(三氟甲基)苯基]甲酮
• 英文名称: 4-Trifluoromethylbenzoylpiperazine
• 英文别名: 1-[4-(Trifluoromethyl)benzoyl]piperazine；piperazin-1-yl-[4-(trifluoromethyl)phenyl]methanone
• CAS: 179334-12-4
• 化学式: C₁₂H₁₃F₃N₂O
• mdl: MFCD07392818
• 分子量: 258.243
• InChiKey: QBTRUOBOJNFCSN-UHFFFAOYSA-N

物化性质

• 沸点：
  356.2±42.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  1-哌嗪基[4-(三氟甲基)苯基]甲酮 在 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 (3R)-3-amino-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  参考文献：
  名称：

  Dipeptidyl peptidase-4 inhibitor with β-amino amide scaffold: Synthesis, SAR and biological evaluation

  摘要：

  Inhibitors of dipeptidyl peptidase-4 (DPP4) have been shown to be effective treatments for type 2 diabetes. Several series of beta-amino amide containing piperazine derivatives have been prepared and evaluated as a inhibitor of DPP4. Finally compound 5m was selected for further evaluation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.019
• 作为产物：
  描述：

  tert-butyl 4-(4-(trifluoromethyl)benzoyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 1-哌嗪基[4-(三氟甲基)苯基]甲酮
  参考文献：
  名称：

  Dipeptidyl peptidase-4 inhibitor with β-amino amide scaffold: Synthesis, SAR and biological evaluation

  摘要：

  Inhibitors of dipeptidyl peptidase-4 (DPP4) have been shown to be effective treatments for type 2 diabetes. Several series of beta-amino amide containing piperazine derivatives have been prepared and evaluated as a inhibitor of DPP4. Finally compound 5m was selected for further evaluation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.019

文献信息

• Certain substituted 1-aryl-3-piperazin-1'-yl propanones to treat
  申请人：Molecular Geriatrics Corporation

  公开号：US05658909A1

  公开（公告）日：1997-08-19

  Disclosed are compounds of formula I: ##STR1## or the pharmaceutically acceptable salts thereof wherein X is a carbonyl, sulfonyl, methylene, or methylene substituted with optionally substituted phenyl; Z is nitrogen or CH; Ar.sub.1 and Ar.sub.2 independently represent aryl groups; and Y is hydrogen; or Y and R.sub.1 or R.sub.2 together represent CH.sub.2 ; CH.sub.2 CH.sub.2 ; CH.sub.2 O; CH.sub.2 S forming a five or six membered ring and such ring may be optionally substituted with loweralkyl or phenyl; or pharmaceutically acceptable salts thereof, useful in the treatment of neoplastic diseases, and bacterial or fungal infections, and for preventing or decreasing the production of abnormally phosphorylated paired helical filament (PHF) epitopes associated with Alzheimer's Disease and, therefore for treating Alzheimer's Disease.

  揭示了以下式I的化合物：##STR1##或其药学上可接受的盐，其中X是羰基、磺酰基、亚甲基或亚甲基，或者亚甲基上带有可选择取代的苯基；Z是氮或CH；Ar.sub.1和Ar.sub.2分别代表芳基；Y是氢；或者Y和R.sub.1或R.sub.2一起代表CH.sub.2；CH.sub.2 CH.sub.2；CH.sub.2 O；CH.sub.2 S形成五元或六元环，该环可以选择性地取代为较低的烷基或苯基；或其药学上可接受的盐，用于治疗肿瘤性疾病，细菌或真菌感染，并用于预防或减少与阿尔茨海默病相关的异常磷酸化成对螺旋丝（PHF）表位的产生，因此用于治疗阿尔茨海默病。
• Substituted 1-aryl-3-piperazin-1'-yl propanones
  申请人：Molecular Geriatrics Corporation

  公开号：US05693804A1

  公开（公告）日：1997-12-02

  Disclosed are compounds of formula I: ##STR1## wherein X is a carbonyl, sulfonyl, methylene, or methylene substituted with optionally substituted phenyl; Z is nitrogen or CH; Ar.sub.1 and Ar.sub.2 independently represent aryl groups; and Y is hydrogen; or Y and R.sub.1 or R.sub.2 together represent CH.sub.2 ;CH.sub.2 CH.sub.2 ; CH.sub.2 O; CH.sub.2 S forming a five or six membered ring and such ring may be optionally substituted with loweralkyl or phenyl; or the pharmaceutically acceptable salts thereof, useful in the treatment of neoplastic diseases, and bacterial or fungal infections, and in preventing or decreasing the production of abnormally phosphorylated paired helical filament (PHF) epitopes associated with Alzheimer's Disease and, therefore, useful for treating Alzheimer's Disease.

  揭示了以下式I的化合物：##STR1## 其中X是羰基、磺酰基、亚甲基或亚甲基，或者亚甲基上带有可选择取代的苯基；Z是氮或CH；Ar.sub.1和Ar.sub.2分别代表芳基；Y是氢；或者Y和R.sub.1或R.sub.2一起代表CH.sub.2；CH.sub.2 CH.sub.2；CH.sub.2 O；CH.sub.2 S形成五元或六元环，该环可以选择性地用较低烷基或苯基取代；或其药学上可接受的盐，用于治疗肿瘤性疾病，细菌或真菌感染，并预防或减少与阿尔茨海默病相关的异常磷酸化成对螺旋丝（PHF）表位的产生，因此，用于治疗阿尔茨海默病。
• NOVEL AZABICYCLOHEXANES
  申请人：Jain Rajseh

  公开号：US20120165320A1

  公开（公告）日：2012-06-28

  The present invention relates to novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers including R and S isomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The invention also relates to processes for the synthesis of novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, stereoisomers, polymorphs, prodrugs, metabolites, salts or solvates thereof.

  本发明涉及公式I的新化合物，其药学上可接受的衍生物，互变异构体，立体异构体包括R和S异构体，多晶型，前药，代谢物，盐或溶剂的形式。该发明还涉及用于合成公式I的新化合物，其药学上可接受的衍生物，互变异构体，立体异构体，多晶型，前药，代谢物，盐或溶剂的过程。
• Certain substituted 1-aryl-3-piperazin-1′-yl propanones
  申请人：Molecular Geriatrics Corporation

  公开号：US06214994B1

  公开（公告）日：2001-04-10

  Disclosed are compounds of formula I: wherein X is a carbonyl, sulfonyl, methylene, or methylene substituted with optionally substituted phenyl; Z is nitrogen or CH; Ar1 and Ar2 independently represent aryl groups; and Y is hydrogen; or Y and R1 or R2 together represent CH2;CH2CH2; CH2O; CH2S forming a five or six membered ring and such ring may be optionally substituted with loweralkyl or phenyl; or the pharmaceutically acceptable salts thereof, useful in the treatment of neoplastic diseases, and bacterial or fungal infections, and in preventing or decreasing the production of abnormally phosphorylated paired helical filament (PHF) epitopes associated with Alzheimer's Disease and, therefore, useful for treating Alzheimer's Disease.

  公开的是以下式I的化合物： 其中X是羰基、磺酰基、亚甲基或与可选择取代的苯基取代的亚甲基； Z是氮或CH； Ar1和Ar2分别代表芳基； Y是氢；或Y和R1或R2一起代表CH2； ； O； S，形成五元或六元环，该环可选择地取代为较低的烷基或苯基；或其药用可接受的盐，用于治疗肿瘤性疾病，细菌或真菌感染，并防止或减少与阿尔茨海默病相关的异常磷酸化成对螺旋丝表位（PHF）的产生，因此，可用于治疗阿尔茨海默病。
• QUINOXALINE DERIVATIVES AS GPR6 MODULATORS
  申请人：ENVOY THERAPEUTICS, INC.

  公开号：US20150232469A1

  公开（公告）日：2015-08-20

  The present invention provides compounds of Formula (I): that are GPR6 modulators and are therefore useful for the treatment of diseases treatable by modulation of GPR6, in particular treating Parkinson disease, levodopa induced dyskinesias, Huntington's disease, other dyskinesias, akinesias, and motor disorders involving dysfunction of the striatum, schizophrenia and drug addiction. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供的化合物为式(I)的GPR6调节剂，因此可用于治疗可通过GPR6调节治疗的疾病，特别是治疗帕金森病、左多巴引起的运动障碍、亨廷顿病、其他运动障碍、无动力障碍以及涉及纹状体功能障碍的运动障碍、精神分裂症和药物成瘾。还提供了含有这种化合物的制药组合物以及制备这种化合物的过程。