4-溴-2-(三氟甲氧基)苯甲醚 | 853771-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-溴-2-(三氟甲氧基)苯甲醚
• 中文别名: 4-溴-2-三氟甲氧基茴香醚
• 英文名称: 4-bromo-1-methoxy-2-trifluoromethoxybenzene
• 英文别名: 4-Bromo-2-(trifluoromethoxy)anisole；4-bromo-1-methoxy-2-(trifluoromethoxy)benzene
• CAS: 853771-88-7
• 化学式: C₈H₆BrF₃O₂
• 分子量: 271.034
• InChiKey: QVGIROOBNUFIKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  4-溴-2-(三氟甲氧基)苯甲醚 在 四(三苯基膦)钯 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  三氟甲氧基二苯并噻吩、其制备方法及相关中间体的制备方法

  摘要：

  本发明提供了一种三氟甲氧基二苯并噻吩、其制备方法及相关中间体的制备方法。其中，三氟甲氧基二苯并噻吩的制备方法包括：将三氟甲氧基联苯类硫化物与第一碱原料混合后进行合环反应，生产三氟甲氧基二苯并噻吩；三氟甲氧基联苯类硫化物上的4和4’位取代基各自独立地选自OCF3、C1～C8烷氧基中的任意一种。解决了现有技术中三氟甲氧基联苯类硫酚气味大的问题，适用于有机合成领域。

  公开号：

  CN114230552A
• 作为产物：
  描述：

  2-(三氟甲氧基)苯酚 在 溴 、 potassium acetate 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 48.0h， 生成 4-溴-2-(三氟甲氧基)苯甲醚
  参考文献：
  名称：

  Potent, Novel in Vitro Inhibitors of the Pseudomonas aeruginosa Deacetylase LpxC

  摘要：

  Deacetylation of uridyldiphospho-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine by LpxC is the first committed step in the Pseudomonas aeruginosa biosynthetic pathway to lipid A; homologous enzymes are found widely among Gram-negative bacteria. As an essential enzyme for which no inhibitors have yet been reported, the P. aeruginosa LpxC represents a highly attractive target for a novel antibacterial drug. We synthesized several focused small-molecule libraries, each composed of a variable aromatic ring, one of four heterocyclic/spacer moieties, and a hydroxamic acid and evaluated the LpxC inhibition of these compounds against purified P. aeruginosa enzyme. To ensure that the in vitro assay would be as physiologically relevant as possible, we synthesized a tritiated form of the specific P. aeruginosa glycolipid substrate and measured directly the enzymatically released acetate. Several of our novel compounds, predominantly those having fluorinated substituents on the aromatic ring and an oxazoline as the heterocyclic moiety, demonstrated in vitro IC50 values less than 1 muM. We now report the synthesis and in vitro evaluation of these P. aeruginosa LpxC inhibitors.

  DOI：

  10.1021/jm010579r

文献信息

• Condensed derivatives of imidazole useful as pharmaceuticals
  申请人：LABORATOIRE BIODIM

  公开号：EP2913330A1

  公开（公告）日：2015-09-02

  The invention relates to the compounds (I) and their acids and bases salts: wherein: the dotted line indicates a double bond; X is N or C-R1 and Y is N or C-R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is Hydrogen or a substituent as defined in the application, or B is a (4-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, and possibly substituted as defined in the application; B not being Hydrogen when X is N and Y is C-R2; R1 is Hydrogen or a substituent as defined in the application; B and R1 cannot be simultaneously Hydrogen; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  该发明涉及化合物（I）及其酸盐和碱盐： 其中： 虚线表示双键； X为N或C-R1，Y为N或C-R2，X和Y不同时为N； A选自苯基、萘基和（5-11）成员单环或双环不饱和环或杂环，可能按申请中定义进行取代， A还可以包括另一个（4-7）成员杂环，该杂环为单环、融合、饱和或不饱和，多环系统则包括最多14个成员和最多5个N、O和S中选择的杂原子； B为氢或按申请中定义的取代基，或 B为含有1-3个N、O和S中选择的杂原子的（4-10）成员单环或双环饱和或不饱和杂环，并可能按申请中定义进行取代； 当X为N且Y为C-R2时，B不是氢； R1为氢或按申请中定义的取代基； B和R1不能同时为氢； R2为氢或卤素； 它们的制备，它们在抗菌预防和治疗中的用途，单独或与抗菌药物、抗毒力剂或增强宿主先天免疫力的药物联合使用，以及含有它们的药物组合物和联合物。
• [EN] Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R)<br/>[FR] UREE-OCTAHYDROINDOLES SUBSTITUES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR 1 DE L'HORMONE CONCENTRANT LA MELANINE (MCH1R)
  申请人：BIOVITRUM AB

  公开号：WO2005051381A1

  公开（公告）日：2005-06-09

  The invention relates to compounds of the general formula (I) wherein R0, R1, R2, R3, R4, R5, R6, R7, R8, R9, Ar, and X are as defined in the description, or a pharmaceutically acceptable salt, hydrates, geometrical isomers, racemates, tautomers, optical isomers, N-oxides and prodrug forms thereof. The compounds may be used for the treatment or prophylaxis of disorders related to the MCH1R receptor and for modulation of appetite. The invention also relates to such use as well as to pharmaceutical formulations comprising a compound of formula (I).

  该发明涉及通式（I）的化合物，其中R0、R1、R2、R3、R4、R5、R6、R7、R8、R9、Ar和X如描述中所定义，或其药学上可接受的盐、水合物、几何异构体、消旋体、互变异构体、光学异构体、N-氧化物及其前药形式。这些化合物可用于治疗或预防与MCH1R受体相关的疾病，并用于调节食欲。该发明还涉及该用途以及包含通式（I）化合物的药物配方。
• [EN] ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS<br/>[FR] ARYLPIPÉRIDINES EN TANT QUE MODULATEURS DE LA MONOACYLGLYCÉROL LIPASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021191384A1

  公开（公告）日：2021-09-30

  Aryl piperidine compounds of Formula (I), and pharmaceutically acceptable salts, isotopes, N-oxides, solvates, and stereoisomers thereof, pharmaceutical compositions containing them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, autism spectrum disorders, Asperger syndrome, bipolar disorder), cancers and eye conditions: wherein X, R2a, R2b, R3, R4, R5a and R5b are as defined herein.

  化学式（I）的芳基哌啶化合物，以及其药用可接受的盐、同位素、N-氧化物、溶剂合物和立体异构体，含有它们的药物组合物，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、障碍和情况的方法，例如与疼痛、精神障碍、神经系统障碍（包括但不限于重性抑郁障碍、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、阿斯伯格综合征、躁郁症）、癌症和眼部疾病相关的情况：其中X、R2a、R2b、R3、R4、R5a和R5b的定义如本文所述。
• A fluorine scan of a tubulin polymerization inhibitor isocombretastatin A-4: Design, synthesis, molecular modelling, and biological evaluation
  作者：Timothée Naret、Jérôme Bignon、Guillaume Bernadat、Mohamed Benchekroun、Helene Levaique、Christine Lenoir、Joelle Dubois、Alain Pruvost、François Saller、Delphine Borgel、Boris Manoury、Veronique Leblais、Romain Darrigrand、Sébastien Apcher、Jean-Daniel Brion、Etienne Schmitt、Frédéric R. Leroux、Mouad Alami、Abdallah Hamze

  DOI：10.1016/j.ejmech.2017.11.055

  日期：2018.1

  the effect of these compounds on the proliferative activity. The introduction of fluorine atom was performed on the phenyl ring or at the linker between the two aromatic rings. The modification of isoCA-4 by introduction of difluoromethoxy group at the para-position (3i) and substitution of the two protons of the linker by two fluorine atoms (3m), produced the most active compounds in the series, with

  合成了一系列基于异康他汀A-4的氟化衍生物的微管蛋白聚合抑制剂，目的是评估这些化合物对增殖活性的影响。氟原子的引入是在苯环上或在两个芳环之间的连接基上进行的。通过在对位（3i）引入二氟甲氧基并用两个氟原子（3m）取代连接基的两个质子，对iso CA-4进行修饰，生成了该系列中活性最高的化合物，IC 50值为0.15–2.2 nM（3i）和0.1–2 nM（3m）分别针对一组六种癌细胞系。与参考CA-4或iso CA-4相比，化合物3i和3m具有更大的抗增殖活性，氟基团的存在导致抗增殖活性的显着增强。分子对接研究表明，化合物3i和3m占据了微管蛋白的秋水仙碱结合位点。在人类非癌细胞中的细胞毒性评估表明，化合物3i和3m在静止的外周血淋巴细胞中实际上无效，并且可能对癌细胞具有选择性的抗增殖活性。对细胞周期分布和形态学微管组织的分析表明，化合物3m诱导了G 2 / M相阻滞，并极大地破坏了微管网络。
• [EN] HETEROCYCLIC GLUTAMINASE INHIBITORS<br/>[FR] INHIBITEURS DE GLUTAMINASE HÉTÉROCYCLIQUES
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2014078645A1

  公开（公告）日：2014-05-22

  Disclosed herein are heterocyclic compounds containing thiadiazole and/or pyridazine rings, as well as pharmaceutical preparations thereof. The compounds herein are further made known to be useful as glutaminase inhibitors with potential uses in treating cancer, immunological and neurological diseases.

  本文披露了含有噻二唑和/或吡嗪烷环的杂环化合物及其制药制剂。本文中的化合物进一步被认为是谷氨酰胺酶抑制剂，在治疗癌症、免疫和神经系统疾病方面具有潜在用途。