1-[2-(2,4-dichloro-phenyl)-2-(4-trifluoromethyl-benzyloxy)-ethyl]-1H-[1,2,4]triazole | 64246-29-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[2-(2,4-dichloro-phenyl)-2-(4-trifluoromethyl-benzyloxy)-ethyl]-1H-[1,2,4]triazole
• 英文别名: 1-[2-(2,4-Dichlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-1,2,4-triazole
• CAS: 64246-29-3
• 化学式: C₁₈H₁₄Cl₂F₃N₃O
• 分子量: 416.23
• InChiKey: ZXIUYIXNXBBCNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• BENZYL ARALKYL ETHER COMPOUNDS, METHOD FOR PREPARING SAME, INTERMEDIATE COMPOUNDS, USE OF SAID COMPOUNDS, METHOD FOR TREATMENT AND/OR PREVENTION, PHARMACEUTICAL COMPOSITION AND MEDICAMENT CONTAINING SAME
  申请人：Keppler Artur Franz

  公开号：US20120196908A1

  公开（公告）日：2012-08-02

  This invention describes new antifungal compounds that are aralkyl benzyl ethers of the formula (I): wherein: Ar represents aryl, imidazolil, 1,2,4-triazolyl, benzimidazolil; R 1 , R 2 , R 4 and R 5 are independently hydrogen, halogen, C 1-6 alkyl; R 3 represents halogen, C 1-6 alkyl or O—R′ where R′ represents hydrogen or lower alkyl; R 6 represents aryl, substituted aryl, trifluoromethyl, trichloromethyl or O—R′ where R′ represents hydrogen or lower alkyl; being the substituents of the aryl a halogen or a radical tetrazolyl; n and m represent independently an integer between 0 and 5; With the proviso that when Ar is imidazolil, R 3 is chlorine, R 6 is p-phenyl and R 1 , R 2 , R 4 and R 5 are hydrogen, n must be different from 2. When n and m are not 0 and 1, R 3 or R 6 can be represented by substituents not necessarily equal. This invention also refers to their salts, solvates, prodrugs, esters, enantiomers and/or pharmaceutically acceptable diastereoisomers, or mixtures thereof, processes for the preparation of these compounds, intermediate compounds, pharmaceutical compositions comprising such compounds and/or derivatives, including those compounds and/or derivatives, as well as the uses and methods of these compounds and/or derivatives for the treatment and/or prevention of conditions and/or diseases caused by microorganisms such as fungi, bacteria and/or protozoa, for the inhibition of proliferation and/or survival of said microorganisms, for the treatment and/or prevention of colonization of microorganisms in an individual, and for the manufacture of a medicine.

  该发明描述了一种新的抗真菌化合物，它们是公式（I）的芳基烷基苯醚，其中：Ar代表芳基，咪唑基，1,2,4-三唑基，苯并咪唑基；R1、R2、R4和R5独立地代表氢、卤素、C1-6烷基；R3代表卤素、C1-6烷基或O—R′，其中R′代表氢或较低的烷基；R6代表芳基、取代芳基、三氟甲基、三氯甲基或O—R′，其中R′代表氢或较低的烷基；芳基的取代基是卤素或四唑基基团；n和m分别表示介于0和5之间的整数；但是当Ar为咪唑基，R3为氯，R6为对苯基且R1、R2、R4和R5为氢时，n必须不等于2。当n和m不为0和1时，R3或R6可以用不必相等的取代基表示。该发明还涉及它们的盐、溶剂合物、前药、酯、对映体和/或药学上可接受的对映异构体或它们的混合物，制备这些化合物的过程，中间体化合物，包括这些化合物和/或衍生物的制药组合物，以及这些化合物和/或衍生物的用途和方法，用于治疗和/或预防由微生物引起的疾病和/或疾病，如真菌、细菌和/或原虫，用于抑制这些微生物的增殖和/或生存，用于治疗和/或预防微生物在个体中的定殖，并用于制药。