1-[2-羟基-4-(三氟甲基)苯基]乙酮 | 228572-69-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[2-羟基-4-(三氟甲基)苯基]乙酮
• 中文别名: 1-(2-甲氧基-4-三氟甲基苯基)乙酮
• 英文名称: 1-(2-hydroxy-4-(trifluoromethyl)phenyl)ethanone
• 英文别名: 1-[2-hydroxy-4-(trifluoromethyl)phenyl]ethanone
• CAS: 228572-69-8
• 化学式: C₉H₇F₃O₂
• 分子量: 204.149
• InChiKey: ZZKAWIIYPNENOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2-8℃，干燥环境下保存。

反应信息

• 作为反应物：
  描述：

  1-[2-羟基-4-(三氟甲基)苯基]乙酮 在 tetra-N-butylammonium tribromide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以95%的产率得到2-bromo-1-(2-hydroxy-4-(trifluoromethyl)phenyl)ethanone
  参考文献：
  名称：

  1,4-二苯基-1H-咪唑和2，4-二苯基噻唑类衍生物及其制备方法和用途

  摘要：

  本发明涉及1,4‑二苯基‑1H‑咪唑和2，4‑二苯基噻唑类衍生物及其制备方法和用途。其结构如下式所示：其中R1为H、OH、OCH3等中任意一个，R2为H、NO2、CH3、CF3、SO2CH3、COOCH3、CONHCH3中任意一个，R3为H、NO2、OCH3、CF3中任意一个，R4选自H、CF3、Cl，R5为H、Cl、CF3、NHCH3中任意一个，R6OCF3、CF3、CN中任意一个。V为C或N中任意一个，W为CH或N中任意一个，X为C原子，Y为CH或N中任意一个，Z为CH或S中任意一个。

  公开号：

  CN110049973B
• 作为产物：
  描述：

  1-[2-methoxy-4-(trifluoromethyl)phenyl]ethan-1-one 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 1-[2-羟基-4-(三氟甲基)苯基]乙酮
  参考文献：
  名称：

  Optimization of Chromone-2-carboxamide Melanin Concentrating Hormone Receptor 1 Antagonists:  Assessment of Potency, Efficacy, and Cardiovascular Safety

  摘要：

  Evaluation of multiple structurally distinct series of melanin concentrating hormone receptor 1 antagonists in an anesthetized rat cardiovascualar assay led to the identification of a chromone-2-carboxamide series as having excellent safety against the chosen cardiovascular endpoints at high drug concentrations in the plasma and brain. Optimization of this series led to considerable improvements in affinity, functional potency, and pharmacokinetic profile. This led to the identification of a 7-fluorochromone-2-carboxamide (22) that was orally efficacious in a diet-induced obese mouse model, retained a favorable cardiovascular profile in rat, and demonstrated dramatic improvement in effects on mean arterial pressure in our dog cardiovascular model compared to other series reported by our group. However, this analogue also led to prolongation of the QT interval in the dog that was linked to affinity for hERG channel and unexpectedly potent functional blockade of this ion channel.

  DOI：

  10.1021/jm060683e

文献信息

• TRPV1 Antagonists
  申请人：AbbVie Inc.

  公开号：US20130158067A1

  公开（公告）日：2013-06-20

  Disclosed herein are compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein X 1 , L, R x , R y , R z , A, m, n, p, q, s, and positions a and b are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

  披露于此的是公式（I）的化合物： 或其药用可接受的盐，其中X 1 ，L，R x ，R y ，R z ，A，m，n，p，q，s，以及位置a和b如说明书所述定义。还披露了包含此类化合物的组合物以及使用此类化合物和组合物治疗状况和失调的方法。
• [EN] SUBSTITUTED CHROMANES AND METHOD OF USE<br/>[FR] CHROMANES SUBSTITUÉS ET MÉTHODE D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2016069757A1

  公开（公告）日：2016-05-06

  The invention provides for compounds of formula (I), wherein R1, X, Y, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, m, and R" have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  该发明提供了一种公式（I）化合物，其中R1、X、Y、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、m和R"具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个公式（I）化合物组成的药物组合物。
• [EN] SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] CYCLOLALKYLES SUBSTITUÉS EN TANT QUE MODULATEURS DE LA VOIE DE STRESS INTÉGRÉE
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2020223536A1

  公开（公告）日：2020-11-05

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions.

  本文提供了用于调节综合应激反应（ISR）并治疗相关疾病、疾病和症状的化合物、组合物和方法。
• Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same
  申请人：Borchardt Allen

  公开号：US20050176701A1

  公开（公告）日：2005-08-11

  The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R 1 and R 2 , are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  这项发明涉及公式1的化合物，以及其药学上可接受的盐、溶剂化合物、前药和代谢物，其中W、Z、R1和R2如本文所定义。该发明还涉及通过给哺乳动物施用公式1的化合物来治疗丙型肝炎病毒的方法，以及用于治疗这类疾病的含有公式1化合物的药物组合物。该发明还涉及制备公式1化合物的方法。
• [EN] TRPV1 ANTAGONISTS<br/>[FR] ANTAGONISTES DE TRPV1
  申请人：ABBOTT LAB

  公开号：WO2010045401A1

  公开（公告）日：2010-04-22

  Disclosed herein are compounds of Formula (I), or pharmaceutically acceptable salts, solvates, prodrugs, salts of prodrugs, or combinations thereof, wherein R1, R2, R3, R4, and m are defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

  本文披露了式（I）的化合物，或其药用可接受的盐、溶剂化合物、前药、前药的盐或它们的组合，其中R1、R2、R3、R4和m在规范中有定义。还披露了包含这种化合物的组合物以及使用这种化合物和组合物治疗疾病和疾病的方法。