N-[4-[(4-乙基-1-哌嗪基)甲基]-3-(三氟甲基)苯基]-4-甲基-3-[(6-甲基-7H-吡咯并[2,3-D]嘧啶-4-基)氧基]苯甲酰胺 | 1315330-11-0

• 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: N-[4-[(4-乙基-1-哌嗪基)甲基]-3-(三氟甲基)苯基]-4-甲基-3-[(6-甲基-7H-吡咯并[2,3-D]嘧啶-4-基)氧基]苯甲酰胺
• 英文名称: N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-((6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)benzamide
• 英文别名: B-Raf inhibitor；N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzamide
• CAS: 1315330-11-0
• 化学式: C₂₉H₃₁F₃N₆O₂
• 分子量: 552.599
• InChiKey: RWNAOXLCVXJMGM-UHFFFAOYSA-N

物化性质

• 密度：
  1.319±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：50 mg/mL（90.48 mM；需要超声波）

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  86.4
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• TYPE II RAF KINASE INHIBITORS
  申请人：Gray Nathanael S.

  公开号：US20130040949A1

  公开（公告）日：2013-02-14

  The present invention relates to novel compounds which are able to modulate b-raf kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.

  本发明涉及一种新的化合物，能够调节B-raf激酶，并将这种化合物用于治疗各种疾病，障碍或病况。
• Type II raf kinase inhibitors
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP2937345A2

  公开（公告）日：2015-10-28

  The present invention relates to novel compounds (II), (III) and (IV) which are able to modulate b-raf kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.

  本发明涉及能够调节 b-raf 激酶的新型化合物 (II)、(III) 和 (IV)，以及这类化合物在治疗各种疾病、失调或病症中的用途。
• CELL DEATH INDUCING AGENT FOR CELLS HAVING BRAF GENE MUTATION, AGENT FOR INHIBITING PROLIFERATION OF SAID CELLS AND PHARMACEUTICAL COMPOSITION FOR TREATING PATIENT SUFFERING FROM EFFECTS OF ABNORMAL PROLIFERATION OF SAID CELLS
  申请人：Nitto Denko Corporation

  公开号：EP3284481A1

  公开（公告）日：2018-02-21

  Cell death is induced and/or cell growth is suppressed for a cell having a mutation in the BRAF gene. A drug suppressing GST-π is comprised as an active ingredient.

  对于 BRAF 基因突变的细胞，可诱导细胞死亡和/或抑制细胞生长。一种抑制 GST-π 的药物作为活性成分。
• Cell death inducing agent for cells having BRAF gene mutation, growth suppressing agent for same cells and pharmaceutical composition for therapy of diseases caused by growth defect of same cells
  申请人：Nitto Denko Corporation

  公开号：US10570396B2

  公开（公告）日：2020-02-25

  Cell death is induced and/or cell growth is suppressed for a cell having a mutation in the BRAF gene. A drug suppressing GST-π is comprised as an active ingredient.

  对于 BRAF 基因突变的细胞，可诱导细胞死亡和/或抑制细胞生长。一种抑制 GST-π 的药物作为活性成分。
• CELL DEATH INDUCING AGENT FOR CELLS HAVING BRAF GENE MUTATION, GROWTH SUPPRESSING AGENT FOR SAME CELLS AND PHARMACEUTICAL COMPOSITION FOR THERAPY OF DISEASES CAUSED BY GROWTH DEFECT OF SAME CELLS
  申请人：Nitto Denko Corporation

  公开号：US20180135058A1

  公开（公告）日：2018-05-17

  Cell death is induced and/or cell growth is suppressed for a cell having a mutation in the BRAF gene. A drug suppressing GST-π is comprised as an active ingredient.