1-(4-三氟甲基)嘧啶-2-基哌啶-4-羰酰氯 | 306934-79-2

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-(4-三氟甲基)嘧啶-2-基哌啶-4-羰酰氯
• 英文名称: 1-(4-trifluoromethyl-pyrimidin-2-yl)-piperidine-4-carbonyl chloride
• 英文别名: 1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl chloride
• CAS: 306934-79-2
• 化学式: C₁₁H₁₁ClF₃N₃O
• 分子量: 293.676
• InChiKey: LFSUSYMMCMOVRL-UHFFFAOYSA-N

物化性质

• 沸点：
  158 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi,Xn
• 安全说明：
  S26
• 危险类别码：
  R34,R36,R22

反应信息

• 作为反应物：
  描述：

  1-(4-三氟甲基)嘧啶-2-基哌啶-4-羰酰氯 、 2,6-di-tert-butyl-4-[4-(3,5-di-tert-butyl-4-methoxy-phenylsulfanyl)-piperidin-4-ylsulfanyl]-phenol 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以51%的产率得到[4-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-4-(3,5-di-tert-butyl-4-methoxy-phenylsulfanyl)-piperidin-1-yl]-[1-(4-trifluoromethyl-pyrimidin-2-yl)-piperidin-4-yl]-methanone
  参考文献：
  名称：

  [EN] NITROGEN RING CONTAINING COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS
  [FR] COMPOSÉS CONTENANT UN CYCLE AZOTÉ POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES

  摘要：

  这项发明提供了化合物、药物组合物和治疗炎症性疾病的方法，包括式I的化合物，或其药用可接受的盐、酯、药用可接受的衍生物或前药，其中R1、R2、R3、R4、X、Y、W、Z和Q如本文所定义。

  公开号：

  WO2012135669A1

文献信息

• [EN] AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS<br/>[FR] INHIBITEURS CARBOXAMIDES D'AZOLE DE SYSTÈMES BACTÉRIENS DE SÉCRÉTION DE PROTÉINE DE TYPE III
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005113522A1

  公开（公告）日：2005-12-01

  In accordance with the present invention, compounds of formula (I) that inhibit Type III protein secretion have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the inhibition of Type III protein secretion and/or in the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections, are provided. In another aspect of the invention, methods are provided for the inhibition of Type III protein secretion and/or the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections using the compounds of the invention. Formula (I):

  根据本发明，已经确定了抑制第III型蛋白分泌的化合物(I)的公式，并提供了其使用方法。在本发明的一个方面，提供了用于抑制第III型蛋白分泌和/或用于治疗和预防细菌感染，特别是革兰氏阴性细菌感染的化合物。在本发明的另一个方面，提供了使用本发明的化合物抑制第III型蛋白分泌和/或治疗和预防细菌感染，特别是革兰氏阴性细菌感染的方法。公式(I)：
• Inhibitors of bacterial type III protein secretion systems
  申请人：Li Xiaobing

  公开号：US20050250819A1

  公开（公告）日：2005-11-10

  In accordance with the present invention, compounds that inhibit Type III protein section have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the inhibition of Type III protein section and/or in the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections, are provided. In another aspect of the invention, methods are provided for the inhibition of Type III protein secretion and/or the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections using the compounds of the invention.

  根据本发明，已经确定了抑制III型蛋白分泌的化合物，并提供了其使用方法。在本发明的一个方面，提供了用于抑制III型蛋白分泌和/或治疗和预防细菌感染，特别是革兰氏阴性细菌感染的化合物。在本发明的另一个方面，提供了使用本发明的化合物来抑制III型蛋白分泌和/或治疗和预防细菌感染，特别是革兰氏阴性细菌感染的方法。
• Inhibitors of bacterial Type III protein secretion systems
  申请人：Li Xiaobing

  公开号：US20050272784A1

  公开（公告）日：2005-12-08

  In accordance with the present invention, compounds that inhibit Type III protein secretion have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the inhibition of Type III protein secretion and/or in the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections, are provided. In another aspect of the invention, methods are provided for the inhibition of Type III protein secretion and/or the treatment and prevention of bacterial infections, particularly Gram-negative bacterial infections using the compounds of the invention.

  根据本发明，已经鉴定出了抑制III型蛋白质分泌的化合物，并提供了其使用方法。本发明的一个方面提供了在抑制III型蛋白质分泌和/或治疗和预防细菌感染，特别是革兰氏阴性细菌感染方面有用的化合物。本发明的另一个方面提供了使用本发明的化合物抑制III型蛋白质分泌和/或治疗和预防细菌感染，特别是革兰氏阴性细菌感染的方法。
• Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity
  申请人：Moritani Yasunori

  公开号：US20090048256A1

  公开（公告）日：2009-02-19

  The present invention relates to a pyrazole compound having potent CB1-antagonizing activity, having the following formula [I]: wherein R 1 and R 2 are the same or different and an optionally substituted aryl group etc., R 3 is an alkyl group etc., E is one of the following groups of the formula (i) to (iv): Q 1 is a single bond, an alkylene group or a group of the formula: —N(R 7 )—, R 7 is a hydrogen atom or an alkyl group, Q 2 is a single bond, an oxygen atom or an alkylene group, R 4 is a cycloalkyl group, a group of the formula: —N(R 5 )(R 6 ) etc., one of R 5 and R 6 is a hydrogen atom or an alkyl group and the other is an alkyl group, a group of the formula: —N(R 8 )(R 9 ) etc., D is an oxygen atom etc., R A1 is an amino group etc., R A2 is an optionally substituted aliphatic heterocyclic group, R is an alkyl group optionally substituted by one to three halogen atom(s) etc., one of R 8 and R 9 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., or a pharmaceutically acceptable salt thereof.

  本发明涉及一种具有强效CB1拮抗活性的吡唑化合物，具有以下式[I]：其中R1和R2相同或不同，且可以是取代的芳基等，R3是烷基等，E是以下式(i)至(iv)中的一种基团：Q1是单键，烷基或式：—N（R7）—的基团，R7是氢原子或烷基，Q2是单键，氧原子或烷基，R4是环烷基，式：—N（R5）（R6）等的基团，其中R5和R6中的一个是氢原子或烷基，另一个是烷基，式：—N（R8）（R9）等的基团，D是氧原子等，RA1是氨基等，RA2是可选取代的脂肪族杂环基团，R是烷基，可选取代为1至3个卤原子等，R8和R9中的一个是氢原子或烷基，另一个是烷基等，或其药学上可接受的盐。
• Process for the preparation of oxazolidinones and method of use thereof
  申请人：Hollingsworth I. Rawle

  公开号：US20070265451A1

  公开（公告）日：2007-11-15

  A process for preparing N-(substituted)-C-(substituted methyl)-oxazolidinones, C-(substituted methyl)-oxazolidinones, and N-(substituted)-C-(substituted methyl)-oxazolidinones, preferably chiral, from optically active C-(protected oxymethyl)-oxazolidinones is described. The process can be used to produce combinatorial libraries of the above substituted oxazolidinones in a two or three step reaction comprising a plurality of reagents differing in numbers of carbons or particular substituted oxazolidinones. A number of substituted oxazolidinones produced using the above process have been discovered to have antimicrobial activity.

  本文介绍了一种从光学活性的C-（保护的氧甲基）-噁唑烷酮制备N-（取代）-C-（取代甲基）-噁唑烷酮、C-（取代甲基）-噁唑烷酮和N-（取代）-C-（取代甲基）-噁唑烷酮的方法，其中优选手性化合物。该方法可用于在包含多种碳数或特定取代噁唑烷酮的多种试剂的两步或三步反应中产生上述取代噁唑烷酮的组合库。使用上述方法生产的许多取代噁唑烷酮已被发现具有抗微生物活性。