4-(difluoromethoxy)-2-fluoroaniline | 1003865-65-3

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯胺系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(difluoromethoxy)-2-fluoroaniline
• CAS: 1003865-65-3
• 化学式: C₇H₆F₃NO
• mdl: MFCD14698443
• 分子量: 177.126
• InChiKey: SHPNHKYZRBEKGY-UHFFFAOYSA-N

物化性质

• 沸点：
  199.0±35.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  35.2
• 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

反应信息

• 作为反应物：
  描述：

  4-(difluoromethoxy)-2-fluoroaniline 在 盐酸 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 45.5h， 生成 dicyclopropylmethyl-[9-(4-difluoromethoxy-2-fluoro-phenyl)-2,8-dimethyl-9H-purin-6-yl]-amine
  参考文献：
  名称：

  Discovery of potent, metabolically stable purine CRF-1 antagonists with differentiated binding kinetic profiles

  摘要：

  Optimisation of the potency of a bicyclic CRF antagonist whilst retaining metabolic stability is described. A core change and incorporation of metabolically stable lipophilic groups resulted in a further potency gain without increasing metabolic liability. Pharmacological investigation of binding kinetics led to the identification of compound 25, a sub-nanomolar CRF-1 antagonist with slow dissociation kinetics and an encouraging pharmacokinetic profile. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.040
• 作为产物：
  描述：

  4-(difluoromethoxy)-2-fluoro-1-nitrobenzene 在 乙醇 、 水 、 铁粉 、 氯化铵 作用下， 以47.148 %的产率得到4-(difluoromethoxy)-2-fluoroaniline
  参考文献：
  名称：

  GPR17 MODULATORS AND USES THEREOF

  摘要：

  Disclosed herein are compounds capable of modulating GPR17 and pharmaceutical compositions of such compounds and methods of treatment for conditions, e.g., neurodegenerative diseases or demyelinating diseases, using such pharmaceutical compositions.

  公开号：

  WO2024104462A1

文献信息

• NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3
  申请人：Vanderbilt University

  公开号：US20150361081A1

  公开（公告）日：2015-12-17

  Described are negative allosteric modulators of metabotropic glutamate receptor 3 (mGlu 3 ), pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating depression, cognitive disorders, schizophrenia, Alzheimer's disease, or cancer in a subject.

  描述了负性变构调节剂对代谢型谷氨酸受体3（mGlu3）的作用，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗主体的抑郁症、认知障碍、精神分裂症、阿尔茨海默病或癌症的方法。
• UREA DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3524240A1

  公开（公告）日：2019-08-14

  An object of the present invention is to find a novel pharmaceutical that has an excellent tryptophanase inhibitory effect, and suppresses worsening of renal function to preserve the kidney by reducing production of indoxyl sulfate in the blood. The present invention provides a pharmaceutical composition containing, as an active ingredient, a compound represented by the following formula, or a pharmacologically acceptable salt thereof: wherein R1 and R2 are the same or different, and represent a C1-C6 alkyl group or the like, and Ar represents an optionally substituted phenyl group or an optionally substituted thienyl group.

  本发明的目的是找到一种新型药物，它具有极佳的色氨酸酶抑制作用，并通过减少血液中吲哚硫酸酯的产生来抑制肾功能恶化，从而保护肾脏。本发明提供了一种药物组合物，其活性成分含有下式所代表的化合物或其药理学上可接受的盐： 其中 R1 和 R2 相同或不同，代表 C1-C6 烷基或类似物，Ar 代表任选取代的苯基或任选取代的噻吩基。
• Urea derivative
  申请人：Daiichi Sankyo Company, Limited

  公开号：US10968169B2

  公开（公告）日：2021-04-06

  An object of the present invention is to find a novel pharmaceutical that has an excellent tryptophanase inhibitory effect, and suppresses worsening of renal function to preserve the kidney by reducing production of indoxyl sulfate in the blood. The present invention provides a pharmaceutical composition containing, as an active ingredient, a compound represented by the following formula, or a pharmacologically acceptable salt thereof: wherein R1 and R2 are the same or different, and represent a C1-C6 alkyl group or the like, and Ar represents an optionally substituted phenyl group or an optionally substituted thienyl group.

  本发明的目的是找到一种新型药物，它具有极佳的色氨酸酶抑制作用，并通过减少血液中吲哚硫酸酯的产生来抑制肾功能恶化，从而保护肾脏。本发明提供了一种药物组合物，其活性成分含有下式所代表的化合物或其药理学上可接受的盐： 其中 R1 和 R2 相同或不同，代表 C1-C6 烷基或类似基团，Ar 代表任选取代的苯基或任选取代的噻吩基。
• EP3524240
  申请人：——

  公开号：——

  公开（公告）日：——
• OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE
  申请人：PHENEX DISCOVERY VERWALTUNGS-GMBH

  公开号：US20200352931A1

  公开（公告）日：2020-11-12

  The present invention relates to novel compounds which act as modulators of indoleamine 2,3-dioxygenase (IDO1) and to the use of said compounds in the prophylaxis and/or treatment of diseases or conditions mediated by indoleamine 2,3-dioxygenase. The invention further relates to pharmaceutical compositions comprising the novel compounds.