1-己基-3-甲基脲 | 39804-97-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 1-己基-3-甲基脲
• 英文名称: 1-hexyl-3-methyl-urea
• 英文别名: N-hexyl-N'-methyl-urea；N-Hexyl-N'-methyl-harnstoff；Urea, N-hexyl-N'-methyl-；1-hexyl-3-methylurea
• CAS: 39804-97-2
• 化学式: C₈H₁₈N₂O
• mdl: MFCD00154723
• 分子量: 158.244
• InChiKey: XQGJMFADIWWUSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  1-己基-3-甲基脲 在 溴 、 三乙胺 、 三苯基膦 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 1-Cyano-3-hexyl-2-methylguanidine
  参考文献：
  名称：

  A Facile and Improved Synthesis of Cyanoguanidines from Carbodiimides

  摘要：

  DOI：

  10.1055/s-1980-29203

文献信息

• HIV REPLICATION INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：US20140249306A1

  公开（公告）日：2014-09-04

  The present invention provides a novel compound having an antiviral action, in particular, an HIV replication inhibiting action, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein, a broken line means the presence or absence of a bond; R 1 is substituted or unsubstituted alkyl etc., R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is a substituted or unsubstituted aromatic carbocyclic group; R 4 is a hydrogen atom etc.; R 5 is a substituted or unsubstituted aromatic carbocyclic group etc.; Y is a single bond etc.; R 6 is substituted or unsubstituted alkyl; R 7 is —Z—R 71 etc.; Z is —NR 72 —CO— etc.; R 71 is substituted or unsubstituted alkyl etc.; R 72 is a hydrogen atom etc.

  本发明提供了一种具有抗病毒作用的新化合物，特别是具有抑制HIV复制作用的化合物，以及一种药物组合物，特别是一种抗HIV药物。其中，虚线表示键的存在或不存在；R1是取代或未取代的烷基等，R2是取代或未取代的烷氧基等；n为1或2；R3是取代或未取代的芳香环烷基；R4是氢原子等；R5是取代或未取代的芳香环烷基等；Y是单键等；R6是取代或未取代的烷基；R7是—Z—R71等；Z是—NR72—CO—等；R71是取代或未取代的烷基等；R72是氢原子等。
• NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Gopalan Balasubramanian

  公开号：US20070105854A1

  公开（公告）日：2007-05-10

  The present invention relates to novel heterocyclic compounds, their analogs, their tautomers, their regioisomers, their stereoisomers, their enantiomers, their diastereomers, their polymorphs, their pharmaceutically acceptable salts, their appropriate N-oxides, their pharmaceutically acceptable solvates and their pharmaceutical compositions containing them. The present invention more particularly relates to novel Phosphodiesterase type 4 (PDE4) inhibitors of the Formula (1), their analogs, tautomers, enantiomers, diasteromers, regioisomers, stereoisomers, polymorphs, pharmaceutically acceptable salts, appropriate N-oxide, pharmaceutically acceptable solvates and the pharmaceutical compositions containing them.

  本发明涉及新型杂环化合物及其类似物、互变异构体、位置异构体、立体异构体、对映异构体、非对映异构体、多型体、药学上可接受的盐、适当的N-氧化物、药学上可接受的溶剂和包含它们的药物组合物。本发明更特别涉及式（1）的新型磷酸二酯酶4（PDE4）抑制剂及其类似物、互变异构体、对映异构体、非对映异构体、位置异构体、立体异构体、多型体、药学上可接受的盐、适当的N-氧化物、药学上可接受的溶剂和包含它们的药物组合物。
• ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF
  申请人：Ohno Michihiro

  公开号：US20100016319A1

  公开（公告）日：2010-01-21

  This invention relates to a pharmaceutical comprising as an effective ingredient an arylmethylene urea exemplified by the following formula: or a pharmaceutically acceptable salt thereof. The arylmethylene urea and the pharmaceutically acceptable salts thereof are useful for therapy or prophylaxis of inflammatory bowel disease and overactive bladder.

  本发明涉及一种药物，其有效成分为以下式子所示的芳基亚甲基脲或其药学上可接受的盐： 该芳基亚甲基脲及其药学上可接受的盐可用于治疗或预防炎症性肠病和过度活跃的膀胱。
• LIQUID PROPELLANT
  申请人：Carlit Holdings Co. Ltd.

  公开号：EP2927204A1

  公开（公告）日：2015-10-07

  The present invention addresses the problem of providing a liquid propellant which has low toxicity, is easy to handle, and has excellent specific impulse. The present invention provides a liquid propellant characterized by comprising at least a dinitramide derivative represented by general formula (1) and an amine nitrate represented by general formula (2).

  本发明要解决的问题是提供一种毒性低、易于处理、比冲力大的液体推进剂。本发明提供了一种液体推进剂，其特征在于至少包含通式（1）代表的二硝胺衍生物和通式（2）代表的硝酸胺。
• PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC CYCLIC COMPOUND
  申请人：Tokuyama Corporation

  公开号：EP4108735A1

  公开（公告）日：2022-12-28

  The photochromic cyclic compound of the present invention is represented by Formula (1) below: in the formula, L is a divalent bridging group and PC is a divalent T-type photochromic basic structural group having a naphthopyran structure, where one end of the bridging group L is bonded to at least the 3-position of the naphthopyran structure.

  本发明的光致变色环状化合物如下式（1）所示： 式中，L 是二价桥基，PC 是具有萘并吡喃结构的二价 T 型光致变色碱性结构基团，其中桥基 L 的一端至少键合在萘并吡喃结构的 3 位上。