1-[2-(4-氯苯基)乙基]-3-[2-(3,4-二羟基苯基)乙基]硫脲 | 1025423-92-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 1-[2-(4-氯苯基)乙基]-3-[2-(3,4-二羟基苯基)乙基]硫脲
• 英文名称: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
• CAS: 1025423-92-0
• 化学式: C₁₇H₁₉ClN₂O₂S
• 分子量: 350.869
• InChiKey: AKYIPRLSUAGSCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  96.6
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-氯苯基)乙基 异硫代氰酸酯 、 2-(3,4-二羟基苯基)乙胺 氢溴酸盐 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以61%的产率得到1-[2-(4-氯苯基)乙基]-3-[2-(3,4-二羟基苯基)乙基]硫脲
  参考文献：
  名称：

  SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure

  摘要：

  Capsazepine as well as its derivatives and analogues are general inhibitors of constriction of human small airways. From a systematic variation of the capsazepine structure, divided into four regions, SARs were established. This part concerns the catechol moiety of the A-ring as well as the 2,3,4,5-tetrahydro-1H-2-azepine moiety (the B-ring) of capsazepine. It is revealed that a conformational constrain (as a fused ring) is important and that compounds with a six-membered B-ring (as a 1,2,3,4-tetrahydroisoquinoline) in general are more potent than the corresponding isoindoline, 2,3,4,5 -tetrahydro-1H-2-benzazepi ne and 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.11.055

文献信息

• NOVEL CAPSAZEPINE ANALOGS FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES
  申请人：The Board of Regents of The University of Texas System

  公开号：EP3549582A2

  公开（公告）日：2019-10-09

  The present disclosure relates generally to derivatives of capsazepine and methods of use thereof. In some aspects, the present disclosure relates to using capsazepine derivatives to treat cancer or other hyperproliferative diseases.

  本公开一般涉及卡扎西平的衍生物及其使用方法。在某些方面，本公开涉及使用卡扎西平衍生物治疗癌症或其他过度增殖性疾病。
• Capsazepine analogs for the treatment of cancer and other proliferative diseases
  申请人：THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US10457676B2

  公开（公告）日：2019-10-29

  The present disclosure relates generally to derivatives of capsazepine and methods of use thereof In some aspects, the present disclosure relates to using capsazepine derivatives to treat cancer or other hyperproliferative diseases. In some aspects of the present disclosure, the disclosure provides capsazepine derivatives which may be useful in the treatment of cancer. Such cancers that the compounds may be used to treating include but are not limited to breast, cervical, oral, head, neck, or prostate cancer. In some aspects, the compounds may be useful in treating a tumor by direct injection of the compound into the tumor, particularly an oral tumor. In other aspects, the compounds are administered systemically. The compounds of the present disclosure may also be used to treat the pain associated with a tumor for which it is being administered.

  本公开总体上涉及卡扎西平的衍生物及其使用方法 在某些方面，本公开涉及使用卡扎西平衍生物治疗癌症或其他增殖过度疾病。在本公开的某些方面，本公开提供了可用于治疗癌症的卡氮平类衍生物。这些化合物可用于治疗的癌症包括但不限于乳腺癌、宫颈癌、口腔癌、头颈癌或前列腺癌。在某些方面，通过将化合物直接注射到肿瘤，特别是口腔肿瘤中，化合物可用于治疗肿瘤。在其他方面，化合物可全身给药。本公开的化合物还可用于治疗与所给药的肿瘤相关的疼痛。