4-(氨基甲基)-3-氟苯胺 | 900174-91-6

• 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: 4-(氨基甲基)-3-氟苯胺
• 英文名称: 4-(aminomethyl)-3-fluoroaniline
• CAS: 900174-91-6
• 化学式: C₇H₉FN₂
• mdl: MFCD09263966
• 分子量: 140.16
• InChiKey: BKWCMHZDPKBMJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(氨基甲基)-3-氟苯胺 、 2,4-二硝基氟苯 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  N-Hydroxybenzimidazole Inhibitors of the Transcription Factor LcrF in Yersinia: Novel Antivirulence Agents

  摘要：

  LcrF, a multiple adaptational response (MAR) transcription factor, regulates virulence in Yersinia pestis and Yersinia pseudotuberculosis. In a search for small molecule inhibitors of LcrF, an acrylic amide series of N-hydroxybenzimidazoles was synthesized and the SAR (structure-activity relationship) was examined, Selected test compounds demonstrated inhibitory activity in a primary cell-free LcrF-DNA binding assay as well as in a secondary whole cell assay (type III secretion system dependent Y. pseudotuberculosis cytotoxicity assay). The inhibitors exhibited no measurable antibacterial activity in vitro, confirming that they do not target bacterial growth. These results demonstrate that N-hydroxy-benzimidazole inhibitors, exemplified by 14, 22, and 36, are effective antivirulence agents and have the potential to prevent infections caused by Yersinia spp.

  DOI：

  10.1021/jm9006577
• 作为产物：
  描述：

  4-氨基-2-氟苯腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以79%的产率得到4-(氨基甲基)-3-氟苯胺
  参考文献：
  名称：

  Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00831

文献信息

• [EN] SPLICEOSTATIN ANALOGS<br/>[FR] ANALOGUES DE SPLICÉOSTATINE
  申请人：PFIZER

  公开号：WO2014068443A1

  公开（公告）日：2014-05-08

  The present invention is directed to novel cytotoxic spliceostatin analogs (I) and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.

  本发明涉及新型细胞毒性剪接抑制素类似物（I）及其衍生物，涉及其抗体药物结合物，以及使用它们治疗包括癌症在内的医疗状况的方法。
• [EN] TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS<br/>[FR] INHIBITEURS DE KARS DÉPENDANT D'AKR1C3 TRICYCLIQUES
  申请人：NOVARTIS AG

  公开号：WO2021005586A1

  公开（公告）日：2021-01-14

  The present invention relates to novel tricyclic compounds that are AKR1C3 dependent KARS inhibitor, processes for their preparation, pharmaceutical compositions, and medicaments containing them, and their use in diseases and disorders mediated by an AKR1C3 dependent KARS inhibitor.

  本发明涉及新型三环化合物，这些化合物是AKR1C3依赖的KARS抑制剂，涉及其制备方法、药物组合物、含有它们的药物以及它们在由AKR1C3依赖的KARS抑制剂介导的疾病和疾患中的应用。
• Phenylglycinamide derivatives useful as anticoagulants
  申请人：Zhang Xiaojun

  公开号：US20060166997A1

  公开（公告）日：2006-07-27

  The present invention relates generally to phenylglycinamide derivatives that inhibit serine proteases. In particular it is directed to novel phenylglycinamide derivatives, and analogues thereof, which are useful as selective inhibitors of serine protease enzymes of the coagulation cascade; for example thrombin, factor VIIa, factor Xa, factor XIa, factor IXa, and/or plasma kallikrein. In particular, it relates to compounds that are factor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.

  本发明一般涉及抑制丝氨酸蛋白酶的苯基甘氨酰衍生物。具体而言，本发明涉及新型苯基甘氨酰衍生物及其类似物，其可用作凝血级联反应的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、第VIIa因子、第Xa因子、第XIa因子、第IXa因子和/或血浆激肽。特别是，它涉及到的化合物是第VIIa因子的抑制剂。本发明还涉及包含这些化合物的制药组合物及其使用方法。
• SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION
  申请人：PFIZER INC.

  公开号：US20140134193A1

  公开（公告）日：2014-05-15

  The present invention is directed to novel cytotoxic spliceostatin analogs and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.

  本发明涉及新型细胞毒性剪接素类似物和衍生物，其抗体药物偶联物，以及使用它们治疗包括癌症在内的医学状况的方法。
• WO2006/76246
  申请人：——

  公开号：——

  公开（公告）日：——