1-(4-fluorophenyl)-3-methylthiourea | 404-43-3

• 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: 1-(4-fluorophenyl)-3-methylthiourea
• 英文别名: N-(4-fluoro-phenyl)-N'-methyl-thiourea；N-(4-Fluor-phenyl)-N'-methyl-thioharnstoff；1-(p-fluorophenyl)-3-methylthiourea；N-Methyl-N'-p-fluorphenylthioharnstoff；[(4-Fluorophenyl)amino](methylamino)methane-1-thione
• CAS: 404-43-3
• 化学式: C₈H₉FN₂S
• mdl: MFCD01764284
• 分子量: 184.237
• InChiKey: CSWBIXLHZJCSSG-UHFFFAOYSA-N

物化性质

• 熔点：
  70 °C
• 沸点：
  246.0±42.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-3-methylthiourea 在 氯仿 、 溴 作用下， 生成 N-(6-氟-2-苯并噻唑基)-N-甲基-乙酰胺
  参考文献：
  名称：

  Dyson et al., Journal of the Indian Chemical Society, 1931, vol. 8, p. 147,163

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氟苯胺 在 乙醇 、 氯仿 、 水 作用下， 生成 1-(4-fluorophenyl)-3-methylthiourea
  参考文献：
  名称：

  Dyson et al., Journal of the Indian Chemical Society, 1931, vol. 8, p. 147,163

  摘要：

  DOI：

文献信息

• Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes
  作者：Timothy J. Donohoe、Mikhail A Kabeshov、Akshat H. Rathi、Ian E. D. Smith

  DOI：10.1039/c1ob06587d

  日期：——

  A range of heterocycles, namely thiazoles, imidazoles, imidazopyridines, thiazolidines and dimethoxyindoles, have been synthesised directly from alkenesvia a two-step ketoidoination/cyclisation protocol. The alkene starting materials are themselves readily accessible using many different and well-established approaches, and allow access to a variety of heterocycles with excellent yields and regioselectivity.

  通过两步酮亚胺化/环化方案，一系列杂环化合物，包括噻唑、咪唑、咪唑并吡啶、噻唑烷和二甲氧基吲哚，已直接从烯烃合成。烯烃起始原料可通过多种不同且成熟的途径轻松获得，并能以优异的产率和区域选择性制备多种杂环化合物。
• Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds
  申请人：Sattigeri Viswajanani Jitendra

  公开号：US20090075909A1

  公开（公告）日：2009-03-19

  The present invention relates to monosaccharide derivatives as anti-inflammatory agents. The compounds of this invention can be useful for inhibition and prevention of inflammation and associated pathologies, including inflammatory and autoimmune diseases, for example, bronchial asthma, rheumatoid arthritis, type I diabetes, multiple sclerosis, allograft rejection or psoriasis. The present invention also relates to pharmacological compositions containing these monosaccharide derivatives, as well as methods of treating bronchial asthma, chronic obstructive pulmonary disease, rheumatoid arthritis, multiple sclerosis, type I diabetes, psoriasis, allograft rejection, and other inflammatory and/or auto immune disorders.

  本发明涉及单糖衍生物作为抗炎药剂。本发明的化合物可用于抑制和预防炎症及相关病理，包括炎症性和自身免疫性疾病，例如支气管哮喘、类风湿关节炎、I 型糖尿病、多发性硬化症、移植排斥或牛皮癣。本发明还涉及含有这些单糖衍生物的药物组合物，以及治疗支气管哮喘、慢性阻塞性肺病、类风湿关节炎、多发性硬化症、I 型糖尿病、牛皮癣、移植排斥和其他炎症和/或自身免疫性疾病的方法。
• Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents
  申请人：Sattigeri Vishwajanani Jitendra

  公开号：US20090048186A1

  公开（公告）日：2009-02-19

  The present invention relates to monosaccharide derivatives as anti-inflammatory agents. The compounds disorder herein can be useful for inhibition and prevention of inflammation and associated pathologies including inflammatory and autoimmune diseases such as bronchial asthma, rheumatoid arthritis, type I diabetes, multiple sclerosis, allograft rejection, psoriasis, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis and allergic rhinitis. Pharmacological compositions containing compounds disclosed herein and the methods of treating bronchial asthma, chronic obstructive pulmonary disease, rheumatoid arthritis, multiple sclerosis, type I diabetes, psoriasis, allograft rejection, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis, allergic rhinitis and other inflammatory and/or autoimmune disorders, using the compounds are also provided.

  本发明涉及单糖衍生物作为抗炎剂。本发明的化合物可用于抑制和预防炎症及相关病理，包括炎症和自身免疫疾病，如支气管哮喘、类风湿性关节炎、I型糖尿病、多发性硬化症、异体移植排斥、银屑病、炎症性肠病、溃疡性结肠炎、痤疮、动脉粥样硬化、癌症、瘙痒和过敏性鼻炎。还提供了含有本发明披露的化合物的药物组合物，以及使用这些化合物治疗支气管哮喘、慢性阻塞性肺病、类风湿性关节炎、多发性硬化症、I型糖尿病、银屑病、异体移植排斥、炎症性肠病、溃疡性结肠炎、痤疮、动脉粥样硬化、癌症、瘙痒、过敏性鼻炎以及其他炎症性和/或自身免疫障碍的方法。
• Guanidines
  申请人：William H. Rorer, Inc.

  公开号：US03976643A1

  公开（公告）日：1976-08-24

  Novel substituted phenylquanidine compounds and processes for their preparation are disclosed. Their use as anti-hypertensive agents is also revealed.

  揭示了一种新型的取代苯基喹啉胺化合物及其制备方法。同时还揭示了它们作为降压药物的用途。
• [EN] QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION<br/>[FR] DERIVES DE QUINOXALINE AYANT UNE ACTION INHIBITRICE SUR PARP
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003007959A1

  公开（公告）日：2003-01-30

  Quinoxaline derivatives provided by this invention are represented by the formula (I): wherein R?1, R2, R3, R4¿ and the ring A are as defined in the specification, and have poly(adenosine 5'-diphaspho-ribose)polymerase (PARP) inhibitory action.

  本发明提供的喹噁啉衍生物由公式(I)表示：其中R?1，R2，R3，R4和环A如规范中所定义，并具有聚腺苷酸5'-二磷酸核糖酶（PARP）抑制作用。