| 1420290-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1420290-98-7
• 化学式: C₂₄H₂₉Cl₂N₃O₆S
• 分子量: 558.483
• InChiKey: HGVWDBGOGORXBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  114.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以30 mg的产率得到5-chloro-N-[2-chloro-4-(methanesulfonamido)phenyl]-2-piperidin-4-yloxybenzamide
  参考文献：
  名称：

  Discovery of O-Alkylamino-Tethered Niclosamide Derivatives as Potent and Orally Bioavailable Anticancer Agents

  摘要：

  Niclosamide has been identified to potently inhibit the activation, nuclear translocation, and transactivation of STAT3. Nevertheless, the poor aqueous solubility and bioavailability of niclosamide have hindered its further clinical development for cancer therapy. To discover new molecules with enhanced druglike properties, a series of novel O-alkylamino-tethered derivatives of niclosamide have been designed, synthesized, and biologically evaluated. Among them, compound 11 (HJC0152) has been demonstrated to significantly suppress MDA-MB-231 xenograft tumor growth in vivo (ip and po), indicating its great potential as efficacious and orally bioavailable therapeutics for human cancer.

  DOI：

  10.1021/ml3003082
• 作为产物：
  描述：

  4-[4-chloro-2-(2-chloro-4-nitro-phenylcarbamoyl)phenoxy]piperidine-1-carboxylic acid tert-butyl ester 在 甲醇 、 氯化铵 、 三乙胺 、 锌 作用下， 以 水 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Discovery of O-Alkylamino-Tethered Niclosamide Derivatives as Potent and Orally Bioavailable Anticancer Agents

  摘要：

  Niclosamide has been identified to potently inhibit the activation, nuclear translocation, and transactivation of STAT3. Nevertheless, the poor aqueous solubility and bioavailability of niclosamide have hindered its further clinical development for cancer therapy. To discover new molecules with enhanced druglike properties, a series of novel O-alkylamino-tethered derivatives of niclosamide have been designed, synthesized, and biologically evaluated. Among them, compound 11 (HJC0152) has been demonstrated to significantly suppress MDA-MB-231 xenograft tumor growth in vivo (ip and po), indicating its great potential as efficacious and orally bioavailable therapeutics for human cancer.

  DOI：

  10.1021/ml3003082

文献信息

• [EN] STAT3 INHIBITOR<br/>[FR] INHIBITEUR DE STAT3
  申请人：UNIV TEXAS

  公开号：WO2014113467A1

  公开（公告）日：2014-07-24

  Provided are STAT3 inhibitors and methods of treating inflammation or a hyperproliferative disease such as, e.g., cancer. In some aspects, compounds may be used to treat breast cancer, a head/neck cancer, a lung cancer, a prostate cancer, or pancreatic cancer.

  提供了STAT3抑制剂和治疗炎症或过度增殖疾病（例如癌症）的方法。在某些方面，化合物可用于治疗乳腺癌、头颈癌、肺癌、前列腺癌或胰腺癌。