2,2,2-三氟-1-(4-(4-溴苯甲酰基)-哌啶-1-基)乙酮 | 203186-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2,2-三氟-1-(4-(4-溴苯甲酰基)-哌啶-1-基)乙酮
• 中文别名: (4-溴苯基)[1-(三氟乙酰基)-4-哌啶基]甲酮
• 英文名称: 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone
• 英文别名: 4-(4-bromobenzoyl)trifluoroacetylpiperidine；2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone
• CAS: 203186-01-0
• 化学式: C₁₄H₁₃BrF₃NO₂
• 分子量: 364.162
• InChiKey: KVOSCEKBAMQYAE-UHFFFAOYSA-N

物化性质

• 沸点：
  471.0±45.0 °C(Predicted)
• 密度：
  1.527±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟-1-(4-(4-溴苯甲酰基)-哌啶-1-基)乙酮 在 水 、 sodium carbonate 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.0h， 生成 1-BOC-4-(4-溴苯甲酰)哌啶
  参考文献：
  名称：

  [EN] SUBSTITUTED 4-BENZYL AND 4-BENZOYL PIPERIDINE DERIVATIVES
  [FR] DÉRIVÉS DE 4-BENZYL ET 4-BENZOYL-PIPÉRIDINE SUBSTITUÉS

  摘要：

  本文描述了根据公式I的1,4-取代哌啶化合物，这些化合物已经表现出作为脂肪酸合酶抑制剂的活性。本文还描述了含有所述1,4-取代哌啶化合物的药物组合物。本文还描述了通过给予本文描述的一个或多个化合物或药物配方治疗由脂肪酸合酶介导的疾病的方法。本文还描述了合成所述1,4-取代哌啶化合物以及在这些合成中有用的合成中间体的方法。

  公开号：

  WO2016205590A1
• 作为产物：
  描述：

  4-哌啶甲酸 在 三氯化铝 、 氯化亚砜 作用下， 反应 8.0h， 生成 2,2,2-三氟-1-(4-(4-溴苯甲酰基)-哌啶-1-基)乙酮
  参考文献：
  名称：

  Discovery of 4-[(Z)-(4-Bromophenyl)- (ethoxyimino)methyl]-1‘-[(2,4-dimethyl-3- pyridinyl)carbonyl]-4‘-methyl-1,4‘- bipiperidine N-Oxide (SCH 351125):  An Orally Bioavailable Human CCR5 Antagonist for the Treatment of HIV Infection

  摘要：

  Structure-activity studies on piperidino-piperidine 3 led to the discovery of SCH 351125 (1), a selective CCR5 antagonist with potent activity against RANTES binding (K-i = 2 nM), which possesses subnanomolar activity in blocking viral entry and has excellent antiviral potency versus a panel of primary HIV-1 viral isolates. Compound 1, which has good oral bioavailability in rats, dogs, and monkeys, is proposed as a potential therapeutic agent for the treatment of HIV-1 and has entered human clinical trials.

  DOI：

  10.1021/jm015526o

文献信息

• 2-Substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders
  申请人：Burnett A. Duane

  公开号：US20050054628A1

  公开（公告）日：2005-03-10

  The present invention discloses compounds of formula I wherein Ar, Y, m, n, R 1 and R 4 are herein defined, said compounds being novel antagonists for melanin-concentrating hormone (MCH), as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such MCH antagonists as well as methods of using them to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes.

  本发明公开了以下式I的化合物 其中Ar、Y、m、n、R1和R4在此有定义，所述化合物是新型黑素浓缩激素（MCH）拮抗剂，以及制备这种化合物的方法。在另一实施例中，本发明公开了包含这种MCH拮抗剂的药物组合物，以及使用它们治疗肥胖、代谢紊乱、食欲紊乱（如过度进食）和糖尿病的方法。
• 2-Substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders
  申请人：Wu Wen-Lian

  公开号：US20050049269A1

  公开（公告）日：2005-03-03

  The present invention discloses compounds of formula I wherein Ar, X, R 1 and R 11 are herein defined, said compounds being novel antagonists for melanin-concentrating hormone (MCH), as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such MCH antagonists as well as methods of using them to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes.

  本发明揭示了具有以下结构的化合物（I）其中Ar、X、R1和R11如下定义，所述化合物是新型黑素浓缩激素（MCH）拮抗剂，以及制备此类化合物的方法。在另一实施方案中，本发明揭示了包含这种MCH拮抗剂的药物组合物，以及使用它们治疗肥胖、代谢紊乱、食欲紊乱（如过食症）和糖尿病的方法。
• Chemokine receptor binding compounds
  申请人：Zhou Yuanxi

  公开号：US20050277670A1

  公开（公告）日：2005-12-15

  The present invention relates to chemokine receptor binding compounds, pharmaceutical compositions and their use. More specifically, the present invention relates to modulators of chemokine receptor activity, preferably modulators of CCR5. These compounds demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  本发明涉及化学因子受体结合化合物、制药组合物及其使用。更具体地，本发明涉及化学因子受体活性调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护作用。
• Substituted 4-benzyl and 4-benzoyl piperidine derivatives
  申请人：89BIO LTD

  公开号：US10919875B2

  公开（公告）日：2021-02-16

  Described herein are 1,4-substituted piperidine compounds according to Formula I that have demonstrated activity as fatty acid synthase inhibitors. Also described herein are pharmaceutical compositions containing the described 1,4-substituted piperidine compounds. Also described herein are methods of treating diseases mediated by fatty acid synthase, by administering one or more of the compounds or pharmaceutical formulations described herein. Also described herein are methods of synthesizing the described 1,4-substituted piperidine compounds and synthetic intermediates useful in those syntheses.

  本文所述的 1,4-取代的哌啶化合物符合式 I，具有脂肪酸合成酶抑制剂的活性。本文还描述了含有所述 1,4-取代哌啶化合物的药物组合物。本文还描述了通过施用一种或多种本文所述化合物或药物制剂来治疗由脂肪酸合成酶介导的疾病的方法。本文还描述了合成所述 1,4-取代的哌啶化合物和用于这些合成的合成中间体的方法。
• PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS
  申请人：SCHERING CORPORATION

  公开号：EP1175402B1

  公开（公告）日：2005-07-20