3-chlorobenzyl imidothiocarbamate | 89802-75-5

• 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: 3-chlorobenzyl imidothiocarbamate
• 英文别名: S-(3-chlorobenzyl)isothiourea；S-(3-Chlor-benzyl)-isothioharnstoff；3-Chlor-α-guanylmercapto-toluol；Carbamimidothioic acid, (3-chlorophenyl)methyl ester；(3-chlorophenyl)methyl carbamimidothioate
• CAS: 89802-75-5
• 化学式: C₈H₉ClN₂S
• mdl: MFCD21101684
• 分子量: 200.692
• InChiKey: MMDKGIZKDGPYFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫脲 、 alkaline earth salt of/the/ methylsulfuric acid 以 乙醇 为溶剂， 生成 3-chlorobenzyl imidothiocarbamate
  参考文献：
  名称：

  Structure-Activity Relationship Study of the Bacterial Actin-Like Protein MreB Inhibitors: Effects of Substitution of Benzyl Group inS-Benzylisothiourea

  摘要：

  我们全面研究了S-苄基异硫脲衍生物中苄基取代基对抗菌活性的影响，因为我们此前发现某些取代基能增强这一活性。我们发现2,4-二氯衍生物是最有效的化合物，它在革兰氏阴性杆菌如大肠杆菌和鼠伤寒沙门氏菌中的抗菌活性强于原化合物。

  DOI：

  10.1271/bbb.60443

文献信息

• BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS
  申请人：Chafeev Mikhail

  公开号：US20080234384A1

  公开（公告）日：2008-09-25

  This invention is directed to compounds of formula (I): wherein m, n, R 1 , R 2 and R 3 are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment of iron disorders. This invention is also directed to pharmaceutical compositions comprising the compounds and methods of using the compounds to treat iron disorders.

  本发明涉及以下式（I）的化合物：其中m、n、R1、R2和R3如本文中所定义，作为立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗铁代谢紊乱。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗铁代谢紊乱的方法。
• PYRIMIDINONE COMPOUNDS AND THEIR USE
  申请人：Cockcroft Xiao-Ling Fan

  公开号：US20140248378A1

  公开（公告）日：2014-09-04

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , Y and Z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供公式（1）的化合物及其药学上可接受的盐，其中R1，R2，Y和Z如规范中所定义，其制备过程，含有它们的制药组合物以及它们在治疗中的应用。
• Pyrimidinone compounds and their use
  申请人：Cockcroft Xiao-Ling Fan

  公开号：US10085986B2

  公开（公告）日：2018-10-02

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R1, R2, Y and Z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式 (1) 化合物及其药学上可接受的盐（其中 R1、R2、Y 和 Z 如说明书中所定义）、其制备工艺、含有它们的药物组合物以及它们在治疗中的用途。
• Levy; Campbell, Journal of the Chemical Society, 1939, p. 1443
  作者：Levy、Campbell

  DOI：——

  日期：——
• INHIBITION OF CELL PROLIFERATION
  申请人：Sebti M. Said

  公开号：US20070254318A1

  公开（公告）日：2007-11-01

  The disclosed modulators of Rb:Raf-1 interactions are potent, selective disruptors of Rb:Raf-1 binding, with IC 50 values ranging from 80 nM to 500 nM. Further, these compounds are surprisingly effective in inhibiting a wide variety of cancer cells, including osteosarcoma, epithelial lung carcinoma, non-small cell lung carcinoma, three different pancreatic cancer cell lines, two different glioblastoma cell lines, metastatic breast cancer, melanoma, and prostate cancer. Moreover, the disclosed compounds effectively disrupt angiogenesis and significantly inhibited tumors in nude mice derived from human epithelial lung carcinoma tumors. Accordingly, the disclosed compounds, pharmaceutical compositions comprising the compounds, methods of inhibiting cell proliferation, methods of treating subjects with cancer, and methods of preparing the disclosed compounds are provided.