2,2,2-trifluoro-N-(2-(1-trityl-1H-imidazol-4-yl)ethyl)acetamide | 312937-01-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2,2,2-trifluoro-N-(2-(1-trityl-1H-imidazol-4-yl)ethyl)acetamide
• 英文别名: 1-(Triphenylmethyl)-4-[2-(trifluoroacetamido)-1-ethyl]imidazole；2,2,2-trifluoro-N-[2-(1-tritylimidazol-4-yl)ethyl]acetamide
• CAS: 312937-01-2
• 化学式: C₂₆H₂₂F₃N₃O
• 分子量: 449.475
• InChiKey: UGLDDUDWLZOFDE-UHFFFAOYSA-N

物化性质

• 熔点：
  120-123 °C
• 沸点：
  576.2±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-(2-(1-trityl-1H-imidazol-4-yl)ethyl)acetamide 在 甲醇 、 sodium hydroxide 、 四(三苯基膦)钯 、 sodium cyanoborohydride 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 17-(5,5,5-Trifluoropent-1-ynyl)-19-oxa-2,5,10,12-tetrazahexacyclo[18.6.2.22,5.114,18.08,12.023,27]hentriaconta-1(26),8,10,14(29),15,17,20(28),21,23(27),24-decaen-3-one
  参考文献：
  名称：

  Potent inhibitors of farnesyltransferase and geranylgeranyltransferase-I

  摘要：

  Compound 1 has been shown to be a dual prenylation inhibitor with FPTase (IC50 = 2 nM) and GGPTase-1 (IC50 = 95 nM). Analogues of 1, which replaced the cyanophenyl group with various biaryls, led to the discovery of highly potent dual FPTase/GGPTase-1 inhibitors. 4-Trifluoromethylphenyl, trifluoropentynyl, and trifluoropentyl were identified as good p-cyano replacements. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00154-3
• 作为产物：
  描述：

  组胺 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2,2-trifluoro-N-(2-(1-trityl-1H-imidazol-4-yl)ethyl)acetamide
  参考文献：
  名称：

  Potent inhibitors of farnesyltransferase and geranylgeranyltransferase-I

  摘要：

  Compound 1 has been shown to be a dual prenylation inhibitor with FPTase (IC50 = 2 nM) and GGPTase-1 (IC50 = 95 nM). Analogues of 1, which replaced the cyanophenyl group with various biaryls, led to the discovery of highly potent dual FPTase/GGPTase-1 inhibitors. 4-Trifluoromethylphenyl, trifluoropentynyl, and trifluoropentyl were identified as good p-cyano replacements. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00154-3

文献信息

• Tyrosinase and catechol oxidase activity of copper(I) complexes supported by imidazole-based ligands: structure–reactivity correlations
  作者：Franziska Wendt、Christian Näther、Felix Tuczek

  DOI：10.1007/s00775-016-1370-y

  日期：2016.9

  zol-4-yl-)ethyl amine (L imz 1), have been synthesized. The corresponding copper(I) complexes [Cu(I)(L OL 1)(CH3CN)]PF6 (CuL OL 1), [Cu(I)(L OL 2)(CH3CN)]PF6 (CuL OL 2), [Cu(I)(L OL 3)(CH3CN)]PF6 (CuL OL 3), [Cu(I)(L imz 1)(CH3CN)2]PF6 (CuL imz 1) as well as the Cu(I) complex derived from the known ligand bis(1-methylimidazol-2-yl)methane (BIMZ), [Cu(I)(BIMZ)(CH3CN)]PF6 (CuBIMZ), are screened as catalysts

  四个基于咪唑的新配体，4-（（（1H-咪唑-4-基）甲基）-2-苯基-4,5-二氢氧基唑（L OL 1），4-（（1H-咪唑-4-基）甲基）-2-（叔丁基）-4,5-二氢唑（L OL 2），4-（（（1H-咪唑-4-基）甲基）-2-甲基-4,5-二氢唑（L OL 3）合成了N-（2,2-二甲基亚丙基）-2-（1-三苯甲基-1H-咪唑-4-基-）乙胺（L imz 1）。相应的铜（I）络合物[Cu（I）（L OL 1）（CH3CN）] PF6（CuL OL 1），[Cu（I）（L OL 2）（CH3CN）] PF6（CuL OL 2），[ Cu（I）（L OL 3）（CH3CN）] PF6（CuL OL 3），[Cu（I）（L imz 1）（CH3CN）2] PF6（CuL imz 1）以及Cu（I）络合物衍生自已知配体双（1-甲基咪唑-2-基）甲烷（BIMZ）的[Cu（I）（BIMZ）（CH3CN）]
• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06562823B1

  公开（公告）日：2003-05-13

  The present invention is directed to peptidomimetic piperazine-containing macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及一种含有肽类似物哌嗪的大环化合物，该化合物能抑制异戊二烯-蛋白转移酶以及致癌基因蛋白Ras的异戊二烯化作用。该发明还涉及含有本发明化合物的化疗组合物以及抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的方法。
• 1,3 AND 1,3,5 SUBSTITUTED IMIDAZOLES AS ANTIHYPERTENSIVES
  申请人：Matsoukas John

  公开号：US20100216854A1

  公开（公告）日：2010-08-26

  The present invention provides novel 1,5 and 1,3,5-substituted imidazole compounds of formulas (I), (IIa), (IIIb) in hydrophilic or lipophilic form, which are useful as angiotensin II AT1 receptor antagonists with sympathetic suppressant properties. In particular, the invention provides pharmaceutical compositions containing the pharmacophoric groups of Losartan and Clonidine as well compounds, processes and intermediates for preparing compounds and their use in methods of treating hypertension and cardiovascular diseases through Renin Angiotensin System (RAS) and Sympathetic System (SS). Alkylated histamine based double action Saltans are lipophilic and can act transdermally.

  本发明提供了新型1,5和1,3,5-取代咪唑化合物的水溶性或脂溶性形式的结构式(I)、(IIa)、(IIIb)，这些化合物可作为具有交感神经抑制作用的血管紧张素II AT1受体拮抗剂。具体而言，本发明提供了含有洛卡特普和可乐定的药理作用基团的药物组合物，以及用于制备化合物的化合物、工艺和中间体，并在通过肾素-血管紧张素系统（RAS）和交感神经系统（SS）治疗高血压和心血管疾病的方法中使用这些化合物。烷基化组织胺双重作用盐类是脂溶性的，并可经皮作用。
• [EN] GLP RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR GLP
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2021186166A1

  公开（公告）日：2021-09-23

  The disclosures herein relate to novel compounds of formula (1 ): and salts thereof, wherein Q, W, X, Y, Z, AA1, AA2, AA3, AA4, AA5, AA6, AA7, AA8, AA9, LysR, R1, R2 and n are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with Glucagon-like peptide (GLP) receptors.

  本公开涉及式(1)的新化合物及其盐，其中Q、W、X、Y、Z、AA1、AA2、AA3、AA4、AA5、AA6、AA7、AA8、AA9、LysR、R1、R2和n在此处有定义，并其在治疗、预防、改善、控制或减少与胰高血糖素样肽（GLP）受体相关的疾病风险方面的用途。
• [EN] LINEAR APELIN RECEPTOR AGONISTS<br/>[FR] AGONISTES LINÉAIRES DU RÉCEPTEUR DE L'APELINE
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2022079428A1

  公开（公告）日：2022-04-21

  The disclosures herein relate to novel compounds of formula (1): and salts thereof, wherein Q, X, AA1, AA2, AA3, AA4, AA5, AA6, AA7, AA8, AA9, AA10, AA11, AA12, AA13, R1R2and n are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with Apelin receptors.

  本公开涉及式（1）的新化合物及其盐，其中Q、X、AA1、AA2、AA3、AA4、AA5、AA6、AA7、AA8、AA9、AA10、AA11、AA12、AA13、R1R2和n在此处定义，并其在治疗、预防、改善、控制或减少与Apelin受体相关的疾病风险方面的用途。