4-(ethylsulfonyl)-1-fluoro-2-nitrobenzene | 1132754-31-4

• 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: 4-(ethylsulfonyl)-1-fluoro-2-nitrobenzene
• 英文别名: 4-ethylsulfonyl-1-fluoro-2-nitrobenzene
• CAS: 1132754-31-4
• 化学式: C₈H₈FNO₄S
• 分子量: 233.22
• InChiKey: AOQXLDOPPUFBCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氟苯乙砜 在 硫酸 、 potassium nitrate 作用下， 反应 2.0h， 以66%的产率得到4-(ethylsulfonyl)-1-fluoro-2-nitrobenzene
  参考文献：
  名称：

  COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREAST CANCER

  摘要：

  本发明提供了治疗三阴性乳腺癌（TNBC）的新方法。在某些实施例中，本发明的方法不需要使用电离辐射疗法。在其他实施例中，本发明的方法不会损伤非癌细胞。

  公开号：

  US20180280319A1

文献信息

• Novel Compounds for Treatment of Malignant Tumors
  申请人：Koumenis Constantinos

  公开号：US20110190400A1

  公开（公告）日：2011-08-04

  The present invention comprises compounds, compositions and methods of use for sensitizing cancer cells, tumors, neoplasms, and malignancies to the effects of ionizing radiation used in the treatment of cancer. The invention further comprises a method of identifying novel radiosensitizing compounds.

  本发明涉及化合物、组合物和使用方法，用于增敏癌细胞、肿瘤、新生物和恶性肿瘤对用于治疗癌症的电离辐射的影响。本发明还涉及一种识别新的放射增敏化合物的方法。
• Compounds for treatment of malignant tumors
  申请人：Koumenis Constantinos

  公开号：US08541476B2

  公开（公告）日：2013-09-24

  The present invention comprises compounds, compositions and methods of use for sensitizing cancer cells, tumors, neoplasms, and malignancies to the effects of ionizing radiation used in the treatment of cancer. The invention further comprises a method of identifying novel radiosensitizing compounds.

  本发明涉及化合物、组合物和使用方法，用于使癌细胞、肿瘤、新生物和恶性肿瘤对用于治疗癌症的电离辐射的效果敏感。本发明还涉及一种鉴定新的放射增敏化合物的方法。
• [EN] NOVEL COMPOUNDS FOR TREATMENT OF MALIGNANT TUMORS<br/>[FR] NOUVEAUX COMPOSÉS POUR LE TRAITEMENT DE TUMEURS MALIGNES
  申请人：UNIV PENNSYLVANIA

  公开号：WO2009036297A1

  公开（公告）日：2009-03-19

  The present invention comprises compounds, compositions and methods of use for sensitizing cancer cells, tumors, neoplasms, and malignancies to the effects of ionizing radiation used in the treatment of cancer. The invention further comprises a method of identifying novel radiosensitizing compounds.

  本发明涉及一种使癌细胞、肿瘤、肿瘤新生物和恶性肿瘤对用于治疗癌症的电离辐射的效果敏感的化合物、组合物和使用方法。本发明还涉及一种识别新的放射增敏化合物的方法。
• Syntheses and<i>In Vitro</i>Anticancer Properties of Novel Radiosensitizers
  作者：Zeynep Ates-Alagoz、Natalia Coleman、Marlena Martin、Aaron Wan、Adeboye Adejare

  DOI：10.1111/j.1747-0285.2012.01442.x

  日期：2012.12

  Series of 4‐(ethylsulfonyl)‐1‐halogen‐2‐nitrobenzene (3a–e) and 1‐(4‐halogen‐3‐nitrophenyl) propan‐1‐one (5a–d) analogs designed as novel radiosensitizers using bromonitropropiophenone and bromonitrobenzonitrile as lead compounds were synthesized. The anticancer activities of the compounds were evaluated in vitro using human prostate cancer (DU‐145) and breast cancer (MCF‐7) cell lines and the MTT assay. From the series, six compounds (3b–e, 5b–c) exhibited potent growth inhibitory effects against both cell lines. The most active, compound 3d, is an iodosulfone and is significantly more potent than the lead compound 5c at 10 μm. Compounds were then compared with doxorubicin, a clinically used anticancer compound for breast and prostate cancers. Our most active compound 3d is more effective than doxorubicin at the dose level of 10 μm at 3 days after radiation, cell viabilities of 18%, 13% compared to 87%, 94% against MCF‐7, and 15%, 20% compared to 60%, 75% against DU‐145 without and with radiation, respectively. At 10 μm, compound 5c had no effects as compared to control, whereas compound 3d reduced DU‐145 cell viability to 16% and that of MCF‐7 cells to 9% even at 5 days after radiation. These results are very encouraging. Future studies include testing the compounds in vivo with and without radiation.
• US8541476B2
  申请人：——

  公开号：US8541476B2

  公开（公告）日：2013-09-24