1-(2-fluoro-10H-phenoxazin-10-yl)ethanone | 1370030-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-(2-fluoro-10H-phenoxazin-10-yl)ethanone
• 英文别名: 1-(2-Fluorophenoxazin-10-yl)ethanone
• CAS: 1370030-79-7
• 化学式: C₁₄H₁₀FNO₂
• 分子量: 243.237
• InChiKey: APIGDJLHFZSSBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-fluoro-2-(2-iodophenoxy)aniline 在 potassium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 1-(2-fluoro-10H-phenoxazin-10-yl)ethanone
  参考文献：
  名称：

  Transition-Metal-Free Intramolecular N-Arylations

  摘要：

  N-Substituted phenoxazines and related aza analogs have been prepared from N-acetylated aryloxy anilides by transition-metal-free, base-catalyzed cyclization reactions. In the presence of a mixture of 10 mol % of N,N-dimethylethylenediamine (DMEDA) and 2 equiv of K2CO3 in toluene at 135 degrees C the products are obtained in high yields.

  DOI：

  10.1021/ol3005134

文献信息

• [EN] SULFONAMIDES DERIVED FROM TRICYCLYL-2-AMINOCYCLOALKANOLS AS ANTICANCER AGENTS<br/>[FR] SULFONAMIDES DÉRIVÉS DE TRICYCLYL-2-AMINOCYCLOALCANOLS EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：ICAHN SCHOOL MED MOUNT SINAI

  公开号：WO2015138500A1

  公开（公告）日：2015-09-17

  A genus of arylsulfonamide derivatives of aminocycloalkanols is disclosed. The compounds are of the following genus (I):. The compounds induce FOXO1 transcription factor translocation to the nucleus by modulating PP2A and, as a consequence, exhibit anti-proliferative effects. They are useful in the treatment of a variety of disorders, including as a monotherapy in cancer treatment, or used in combination with other drugs to restore sensitivity to chemotherapy where resistance has developed.

  揭示了一类氨基环己醇基的芳基磺胺酰胺衍生物的属。这些化合物属于以下属(I)：这些化合物通过调节PP2A诱导FOXO1转录因子转位到细胞核，从而表现出抗增殖效果。它们在治疗各种疾病方面很有用，包括作为癌症治疗的单药疗法，或与其他药物结合以恢复对化疗的敏感性，特别是在发生耐药性时。
• Characterization of HJ-PI01 as a novel Pim-2 inhibitor that induces apoptosis and autophagic cell death in triple-negative human breast cancer
  作者：Yu-qian Zhao、Yi-qiong Yin、Jie Liu、Gui-hua Wang、Jian Huang、Ling-juan Zhu、Jin-hui Wang

  DOI：10.1038/aps.2016.60

  日期：2016.9

  apoptosis/autophage-inducing mechanisms of HJ-PI01 were elucidated using Western blots, immunoblots, flow cytometry, transmission electron microscopy and fluorescence microscopy. RESULTS: Based on the PrePPI network, the potential partners interacting with Pim-2 in regulating apoptosis (160 protein pairs) and autophagy (47 protein pairs) were identified. Based on the structural characteristics of Pim-2, a total

  目的：PIm-2是一种短暂的丝氨酸/苏氨酸激酶，通过持续激活STAT3在乳腺癌的转移中发挥关键作用。尽管已经报道了PIm-2的晶体结构，但是到目前为止，还没有报道过特定的PIm-2靶向化合物。在这项研究中，我们通过计算机分析和实验验证确定了一种新型的PIm-2抑制剂HJ-PI01。方法：使用蛋白质-蛋白质相互作用（PPI）网络，化学合成，分子对接和分子动力学（MD）模拟来设计和发现新的PIm-2抑制剂HJ-PI01。在体外和在MDA-MB-231异种移植小鼠中评估了HJ-PI01在人乳腺MDA-MB-231，MDA-MB-468，MDA-MB-436，MCF-7细胞中的抗肿瘤作用用HJ-PI01（40 mg.kg-1.d-1，ig）加或不加淋巴多肽（50 mg.kg-1.d-1，ip）10 d。使用蛋白质印迹，免疫印迹，流式细胞仪，透射电子显微镜和荧光显微镜阐明了HJ-PI01的凋亡/自噬
• SULFONAMIDES DERIVED FROM TRICYCLYL-2-AMINOCYCLOALKANOLS AS ANTICANCER AGENTS
  申请人：Icahn School of Medicine at Mount Sinai

  公开号：EP3116860B1

  公开（公告）日：2018-02-07
• US9937186B2
  申请人：——

  公开号：US9937186B2

  公开（公告）日：2018-04-10