(6-Hydroxy-2,4-xylyl)-phenyl-ether | 92496-03-2

• 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: (6-Hydroxy-2,4-xylyl)-phenyl-ether
• 英文别名: 3,5-Dimethyl-2-phenoxyphenol
• CAS: 92496-03-2
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: UIAHKKZCURGCIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (6-Acetamino-2,4-xylyl)-phenyl-aether 生成 (6-Hydroxy-2,4-xylyl)-phenyl-ether
  参考文献：
  名称：

  2,4-Dimethyldibenzofuran

  摘要：

  DOI：

  10.1021/jo01069a552

文献信息

• Diphenyl ether antimicrobial compounds
  申请人：Tonge J. Peter

  公开号：US20060041025A1

  公开（公告）日：2006-02-23

  The present invention is directed to compounds having the formula: wherein A 1 , A 3 , A 6 , and A 8 independently represent CH or N; A 2 represents N or C—X 1 a —R 1 ; A 4 represents N or C—X 2 b —R 2 ; R 1 and R 2 independently represent H, or a hydrocarbon containing a minimum of one carbon atom and a maximum of twenty six carbon atoms, wherein the hydrocarbon is unsubstituted, or is substituted with one or more of —OH, —NH 2 , —SH, halo, or —COOH; X 1 and X 2 independently represent —O—, —S—, —NH—, —C(O)O—, —C(O)—, —C(O)NH—, or —SO 2 NH—; a and b independently represent 0 or 1, provided that when a and b are both 0, then R 1 and R 2 are not both H; when a is 1, then R 1 is not H; and when b is 1, then R 2 is not H; A 5 and A 9 independently represent CR 3 or N; R 3 represents H, methyl, ethyl, or halo; A 7 represents CR 4 or N; R 4 represents H, methyl, ethyl, halo, nitro, hydroxy, amino, amido, or a methyl or ethyl group substituted with halo, nitro, hydroxy, amino, or amido; provided that A 2 and A 4 are not both N; and not more than three of A 5 , A 6 , A 7 , A 8 , and A 9 are N. The invention is also directed to pharmaceutical compositions comprising a compound according to (1) and a pharmaceutically acceptable carrier. The invention is also directed to methods of inhibiting the growth of a bacterium containing an enoyl reductase enzyme encoded by a fabI gene, a fabK gene, a fabL gene, or a combination thereof, in a mammal in need thereof, the method comprising administering to the mammal an effective amount of a compound according to formula (1).

  本发明涉及具有以下式的化合物：其中A1、A3、A6和A8独立地表示CH或N；A2表示N或C-X1a-R1；A4表示N或C-X2b-R2；R1和R2独立地表示H，或含有至少一个碳原子和最多二十六个碳原子的碳氢化合物，其中该碳氢化合物未经取代或用一种或多种-OH、NH2、SH、卤素或-COOH取代；X1和X2独立地表示-O-、-S-、-NH-、-C（O）O-、-C（O）-、-C（O）NH-或-SO2NH-；a和b独立地表示0或1，但当a和b都为0时，R1和R2不同时为H；当a为1时，R1不为H；当b为1时，R2不为H；A5和A9独立地表示CR3或N；R3表示H、甲基、乙基或卤素；A7表示CR4或N；R4表示H、甲基、乙基、卤素、硝基、羟基、氨基、酰胺基或用卤素、硝基、羟基、氨基或酰胺基取代的甲基或乙基基团；其中A2和A4不同时为N；且A5、A6、A7、A8和A9中不超过三个为N。本发明还涉及包含式（1）的化合物和药学上可接受的载体的制药组合物。本发明还涉及一种抑制哺乳动物中编码fabI基因、fabK基因、fabL基因或其组合的烯醇还原酶酶的细菌的生长的方法，该方法包括向哺乳动物中施加有效量的符合式（1）的化合物。
• METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND
  申请人：Ronnett, Gabrielle

  公开号：EP2655706A2

  公开（公告）日：2013-10-30
• US7687547B2
  申请人：——

  公开号：US7687547B2

  公开（公告）日：2010-03-30
• [EN] METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND<br/>[FR] PROCÉDÉS DE CRIBLAGE DE COMPOSÉS QUI SONT CYTOTOXIQUES POUR DES CELLULES TUMORALES ET PROCÉDÉS DE TRAITEMENT DE CELLULES TUMORALES UTILISANT UN TEL COMPOSÉ
  申请人：RONNETT GABRIELLE

  公开号：WO2012071562A2

  公开（公告）日：2012-05-31

  The invention relates to methods of screening to find compounds that are cytotoxic to tumor cells and methods of treating tumor cells using these compounds. In particular, the invention relates to methods of screening for compounds that inhibit mammalian mitochondrial fatty acid synthase (mmFAS) and methods of treating tumor cells using mmFAS inhibitors. This invention also provides methods for inhibiting or preventing cancer cell survival by the administration of mitochondrial fatty acid synthase (FAS) inhibitors. Specifically, this invention describes a method for prohibiting or delaying the development of cancer, the growth of cancer or invasion of cancer from premalignant (noninvasive) lesions, or metastasis of cancer based upon the findings that this method compromises energy balance in cancer cells, in turn compromising their basic functions and causing their cell death. Compositions of matter containing mitochondrial FAS inhibition activity are also provided, as well as applications based upon the requisite role of mitochondrial FAS in cancer cell homeostasis.