1-(4-isothiocyanatophenyl)-1H-imidazole | 223785-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-isothiocyanatophenyl)-1H-imidazole
• 英文别名: 1-(4-isothiocyanato-phenyl)-1H-imidazole；1-(4-Isothiocyanatophenyl)imidazole
• CAS: 223785-60-2
• 化学式: C₁₀H₇N₃S
• 分子量: 201.252
• InChiKey: OGKWFMJVYGPCMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-isothiocyanatophenyl)-1H-imidazole 在 肼 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 N-(4-(1H-imidazol-1-yl)phenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide
  参考文献：
  名称：

  Isatin-β-thiosemicarbazones as potent herpes simplex virus inhibitors

  摘要：

  A series of isatin-beta-thiosemicarbazones have been designed and evaluated for antiviral activity against herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2) in a plaque reduction assay. Their cytotoxicity was examined using human rhabdomyosarcoma cells (RD cells). Several derivatives of isatin-beta-thiosemicarbazone exhibited significant and selective antiviral activity with low cytotoxicity. It was found that the thiourea group at thiosemicarbazone and the NH functionality at isatin were essential for their anti-herpetic activity. The synthesis and structure-activity relationship studies are presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.037
• 作为产物：
  描述：

  硫光气 、 4-(1H-咪唑-1-基)苯胺 在 sodium carbonate 作用下， 以 水 、 丙酮 为溶剂， 反应 2.0h， 以95%的产率得到1-(4-isothiocyanatophenyl)-1H-imidazole
  参考文献：
  名称：

  4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases

  摘要：

  公开号：

  EP1215208B1

文献信息

• 디아미노티아졸 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 간암의 예방 또는 치료용 약학적 조성물
  申请人：Daegu-Gyeongbuk Medical Innovation Foundation 재단법인 대구경북첨단의료산업진흥재단(120110319805) Corp. No ▼ 170122-0006899BRN ▼502-82-19772

  公开号：KR20160035878A

  公开（公告）日：2016-04-01

  본 발명은 디아미노티아졸 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 간암의 예방 또는 치료용 약학적 조성물에 관한 것으로, 본 발명에 따른 디아미노티아졸 유도체, 이의 광학 이성질체 또는 이의 약학적으로 허용 가능한 염은 Wee1 키나아제의 활성뿐만 아니라, 간암 세포주의 세포증식을 억제하는 효과가 우수하므로 이와 관련된 간암의 예방 또는 치료용 약학적 조성물로 유용하게 사용될 수 있다.

  本发明涉及二氨基噻唑衍生物，其制备方法以及含有其作为有效成分的用于预防或治疗肝癌的药学组合物，根据本发明的二氨基噻唑衍生物，其光学异构体或其药学上可接受的盐不仅具有Wee1激酶的活性，而且对抑制肝癌细胞系的细胞增殖效果出色，因此可用作与之相关的肝癌预防或治疗用药学组合物。
• Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases
  申请人：——

  公开号：US20030220326A1

  公开（公告）日：2003-11-27

  Pharmaceutical compositions containing effective amounts of CDK-inhibiting diaminothiazole compounds of the following formula (where R 1 and R 2 are as defined in the specification) or their salts, or prodrugs or active metabolites of such compounds or salts, are useful for treating disorders and diseases such as cancer: 1 In preferred embodiments, R 1 and R 2 are independently unsubstituted or substituted carbocyclic or heterocyclic aryl ring structures. Compounds where R 2 is ortho-substituted aryl are especially potent inhibitors of CDKs such as CDK4.

  含有以下公式中CDK抑制二氨基噻唑化合物的有效量的药物组合物（其中R1和R2如规范所定义）或其盐，或这些化合物或盐的前药或活性代谢物，可用于治疗癌症等疾病和疾病。在首选实施例中，R1和R2分别是未取代或取代的碳环或杂环芳香环结构。其中R2为邻位取代芳香族的化合物特别是CDKs如CDK4的有效抑制剂。
• NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS
  申请人：POITOUT Lydie

  公开号：US20090270372A1

  公开（公告）日：2009-10-29

  A subject of the present Application is novel derivatives of benzimidazole and imidazopyridine which have a good affinity for certain sub-types of melanocortin receptors, in particular the MC4 receptors. They are particularly useful for treating pathological conditions and diseases in which one or more melanocortin receptors are involved. The invention also relates to pharmaceutical compositions containing said products.

  本申请的主题是苯并咪唑和咪唑吡啶的新衍生物，它们对于某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。它们特别适用于治疗涉及一个或多个黑色素皮质素受体的病理条件和疾病。本发明还涉及含有上述产物的制药组合物。
• Bicyclic Compounds for the Reduction of Beta-Amyloid Production
  申请人：Marcin Lawrence R.

  公开号：US20110015175A1

  公开（公告）日：2011-01-20

  The present disclosure provides a series of compounds of the formula (I) which reduce β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by β-amyloid peptide (β-AP) production.

  本公开提供了一系列化合物的公式（I），它们能够减少β-淀粉样肽（β-AP）的产生，并且在治疗阿尔茨海默病和其他受β-淀粉样肽（β-AP）产生影响的疾病方面非常有用。
• Identification of a novel series of benzimidazoles as potent and selective antagonists of the human melanocortin-4 receptor
  作者：Lydie Poitout、Valérie Brault、Carole Sackur、Sonia Bernetière、José Camara、Pascale Plas、Pierre Roubert

  DOI：10.1016/j.bmcl.2007.06.010

  日期：2007.8

  A novel series of benzimidazoles was identified and optimized, leading to the discovery of potent and selective antagonists of the human melanocortin-4 receptor. In addition, compound 5i was shown to cross the blood-brain barrier after intravenous dosing in rats. (c) 2007 Elsevier Ltd. All rights reserved.