1-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]ethanone

• 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: 1-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]ethanone
• 化学式: C₁₃H₁₇FN₂O
• 分子量: 236.28
• InChiKey: AKCTWONCLUGTNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] ACTIVE KETONE INHIBITORS OF TRYPTASE<br/>[FR] INHIBITEURS DE LA TRYPTASE, CONTENANT DE LA CETONE ACTIVE
  申请人：AXYS PHARM INC

  公开号：WO2006044133A1

  公开（公告）日：2006-04-27

  [EN] The present invention related to certain active tetracyclic ketone inhibitors of tryptase, pharmaceutical composition comprising these compounds and methods of treating asthma, allergic rhinitis, and/or Chronic Obstructive Pulmonary Disease utilizing these compounds.
  [FR] La présente invention concerne certains inhibiteurs de la tryptase, contenant de la cétone active, une composition pharmaceutique renfermant ces composés et des méthodes de traitement de l'asthme, de la rhinite allergique et/ou d'une maladie pulmonaire obstructive chronique, au moyen de ces composés.
• [EN] COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF<br/>[FR] COMPOSÉS CIBLANT LES DOMAINES BRCT EN TANDEM DE BRCA1, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：INST FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE

  公开号：WO2019038683A1

  公开（公告）日：2019-02-28

  The present invention is in the field of medicinal/pharmaceutical sciences. The present disclosure relates to compounds, compositions, methods, and uses for diagnosis and treatment of disease or conditions responsive to BRCA1 modulation, and/or the modulation of other proteins that contain BRCT domains. In particular, the invention relates to compound of formula I, corresponding compositions and methods for inhibiting BRCA1 activity and thereby DNA damage response (DDR) in cells, mediated via ATM, ATR, CDKs, DNA-PK, BRCA1, BRCA2, PALB2, RAD51 or CHEK1, as well as other molecules. Said modulation of steps in the DDR results in treatment or management of proliferative disorders including cancer.