1,2-二氨基-3-氟-5-三氟甲基苯胺 | 1217303-38-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2-二氨基-3-氟-5-三氟甲基苯胺
• 英文名称: 3-fluoro-5-(trifluoromethyl) benzene-1,2-diamine
• 英文别名: 3-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine
• CAS: 1217303-38-2
• 化学式: C₇H₆F₄N₂
• 分子量: 194.132
• InChiKey: XROMSPYRRCZQLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-二氨基-3-氟-5-三氟甲基苯胺 在 溶剂黄146 作用下， 反应 1.5h， 生成
  参考文献：
  名称：

  Nitrogen-Containing Heterocyclic Compound, Pharmaceutical Compositions thereof and Use thereof

  摘要：

  Disclosed is a nitrogen-containing heterocyclic compound, pharmaceutical compositions thereof and use thereof. The present disclosure provides a nitrogen-containing heterocyclic compound represented by formula I, a pharmaceutically acceptable salt thereof, a solvate thereof, a solvate of pharmaceutically acceptable salt thereof, a crystal thereof, a stereoisomer thereof, a tautomer thereof or an isotopically labeled compound thereof. The nitrogen-containing heterocyclic compound represented by formula I is expected to treat and/or prevent various PI3K-meditated diseases.

  公开号：

  US20240158408A1
• 作为产物：
  描述：

  3,4-二氟-5-硝基三氟甲苯 在 ammonium hydroxide 、 5%-palladium/activated carbon 、 氢气 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 1,2-二氨基-3-氟-5-三氟甲基苯胺
  参考文献：
  名称：

  Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives

  摘要：

  Our initial lead compound 2 was modified to improve its metabolic stability. The resulting compound 5 showed excellent metabolic stability in rat and human liver microsomes. We subsequently designed and synthesized a hybrid compound of 5 and the 1,3-bis(aryloxy) benzene derivative 1, which was previously reported by our group to be an S1P(2) antagonist. This hybridization reaction gave compound 9, which showed improved S1P(2) antagonist activity and good metabolic stability. The subsequent introduction of a carboxylic acid moiety into 9 resulted in 14, which showed potent antagonist activity towards S1P(2) with a much smaller species difference between human S1P(2) and rat S1P(2). Compound 14 also showed good metabolic stability and an improved safety profile compared with compound 9. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.022

文献信息

• HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE
  申请人：Borchardt Allen J.

  公开号：US20100120741A1

  公开（公告）日：2010-05-13

  The present invention relates to compounds and methods which may be useful as inhibitors of H 1 R and/or H 4 R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

  本发明涉及化合物和方法，这些化合物和方法可能用作H1R和/或H4R的抑制剂，用于治疗或预防炎症性、自身免疫性、过敏性和眼部疾病。
• [EN] HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS HÉTÉROCYLIQUES DES RÉCEPTEURS DE L'HISTAMINE DESTINÉS AU TRAITEMENT D'UNE MALADIE
  申请人：KALYPSYS INC

  公开号：WO2010030785A2

  公开（公告）日：2010-03-18

  The present invention relates to compounds and methods which may be useful as inhibitors of H1R and/or H4R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.
• [EN] HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE RÉCEPTEURS DE L'HISTAMINE DESTINÉS AU TRAITEMENT DE MALADIE
  申请人：KALYPSYS INC

  公开号：WO2011112731A2

  公开（公告）日：2011-09-15

  The present invention relates to compounds and methods which may be useful as inhibitors of H1R and/or H4R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.
• [EN] PI3Kα INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PI3Kα ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]RELAY THERAPEUTICS, INC.

  公开号：WO2023288242A1

  公开（公告）日：2023-01-19

  The present disclosure relates to novel compounds and pharmaceutical compositions thereof, and methods for inhibiting the activity of PI3Kα enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with PI3Kα signaling with the compounds and compositions of the disclosure.
• WO2023/39532
  申请人：——

  公开号：——

  公开（公告）日：——