(5-nitro-2-(trifluoromethoxy)phenyl)methanol | 874821-51-9

• 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: (5-nitro-2-(trifluoromethoxy)phenyl)methanol
• 英文别名: [5-Nitro-2-(trifluoromethoxy)phenyl]methanol
• CAS: 874821-51-9
• 化学式: C₈H₆F₃NO₄
• 分子量: 237.135
• InChiKey: FQIKSGAPTKHNIT-UHFFFAOYSA-N

物化性质

• 沸点：
  311.0±37.0 °C(Predicted)
• 密度：
  1.525±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 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：
  75.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (5-nitro-2-(trifluoromethoxy)phenyl)methanol 在 钯 、 二氯甲烷 、 甲醇 作用下， 以 乙酸乙酯 为溶剂， 反应 3.0h， 以MeOH as an eluent to give 1.67 g (96%) of (5-amino-2-trifluoromethoxy-phenyl)-methanol as a yellow solid的产率得到(5-amino-2-trifluoromethoxyphenyl)methanol
  参考文献：
  名称：

  PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA

  摘要：

  本发明涉及一种新型化合物，其化学式为（I）：其中X，Y，R1，R2和R3的定义如本文所述，该化合物可用作PKC-theta的抑制剂，因此可用于治疗多种通过PKC-theta的活性介导或维持的疾病和疾病，包括免疫性疾病和2型糖尿病。本发明还涉及包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。

  公开号：

  US20080287410A1
• 作为产物：
  描述：

  2-(三氟甲氧基)苯甲醛 在 sodium tetrahydroborate 、 硫酸 、 硝酸 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 (5-nitro-2-(trifluoromethoxy)phenyl)methanol
  参考文献：
  名称：

  New Hits as Antagonists of GPR103 Identified by HTS

  摘要：

  Preclinical data indicate that GPR103 receptor and its endogenous neuropeptides QRFP26 and QRFP43 are involved in appetite regulation. A high throughput screening (HTS) for small molecule GPR103 antagonists was performed with the clinical goal to target weight management by modulation of appetite. A high hit rate from the HTS and initial low confirmation with respect to functional versus affinity data challenged us to revise the established screening cascade. To secure high quality data while increasing throughput, the binding assay was optimized on quality to run at single concentration. This strategy enabled evaluation of a larger fraction of chemical clusters and singletons delivering 17 new compound classes for GPR103 antagonism. Representative compounds from three clusters are presented. One of the identified clusters was further investigated, and an initial structure activity relationship study is reported. The most potent compound identified had a pIC(50) of 7.9 with an improved ligand lipophilic efficiency.

  DOI：

  10.1021/ml400519h

文献信息

• PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA
  申请人：BARBOSA Antonio J.M.

  公开号：US20080287410A1

  公开（公告）日：2008-11-20

  Disclosed are novel compounds of formula (I): wherein X, Y, R 1 , R 2 and R 3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及一种新型化合物，其化学式为（I）：其中X，Y，R1，R2和R3的定义如本文所述，该化合物可用作PKC-theta的抑制剂，因此可用于治疗多种通过PKC-theta的活性介导或维持的疾病和疾病，包括免疫性疾病和2型糖尿病。本发明还涉及包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• HERBIZID WIRKSAME 3-PHENYLISOXAZOLINDERIVATE
  申请人：Bayer CropScience AG

  公开号：EP2900645A1

  公开（公告）日：2015-08-05
• US7601714B2
  申请人：——

  公开号：US7601714B2

  公开（公告）日：2009-10-13
• [EN] PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA<br/>[FR] DÉRIVÉS DE PYRIMIDINE UTILES COMME INHIBITEURS DE LA PKC-THÊTA
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2006014482A1

  公开（公告）日：2006-02-09

  Disclosed are novel compounds of formula: (I); wherein X, Y, R1, R2 and R3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.
• [EN] GPX4 INHIBITORS AND USE THEREOF<br/>[FR] INHIBITEURS DE GPX4 ET LEUR UTILISATION
  申请人：[en]SONATA THERAPEUTICS, INC.

  公开号：WO2024030651A1

  公开（公告）日：2024-02-08

  The present disclosure provides a compound of Formula (I'), or a pharmaceutically acceptable salt thereof and its use in, e.g. treating a condition, disease, or disorder in which inhibiting GPX4 in a subject is of therapeutic benefit, specifically in treating cancer or autoimmune diseases. This disclosure also features a composition containing the same as well as methods of using and making the same.