4-环己基正丁胺 | 4441-59-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-环己基正丁胺
• 英文名称: 4-cyclohexyl-butylamine
• 英文别名: 4-Cyclohexyl-butylamin；4-(cyclohexyl)butylamine；4-cyclohexylbutylamine；4-Cyclohexylbutan-1-amine
• CAS: 4441-59-2
• 化学式: C₁₀H₂₁N
• 分子量: 155.283
• InChiKey: NQJLVGQKPMVHTD-UHFFFAOYSA-N

物化性质

• 沸点：
  73 °C(Press: 1 Torr)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921300090
• 危险标志：
  GHS07
• 危险性描述：
  H302,H319
• 危险性防范说明：
  P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  4-环己基正丁胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 N-([(4-cyclohexylbutyl)carbamothioyl]amino)-2-(4-methoxyphenoxy)acetamide
  参考文献：
  名称：

  Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

  摘要：

  Osteoarthritis is a disabling disease characterized by the articular cartilage breakdown. Aggrecanases are potential therapeutic targets for the treatment of this pathology. At the starting point of this project, an acylthiosemicarbazide was discovered to inhibit aggrecanase-2. The acylthiosemicarbazide Zn binding group is also a convenient linker for library synthesis. A focused library of 920 analogs was thus prepared and screened to establish structure-activity relationships. The modification of the acylthiosemicarbazide was also explored. This strategy combining library design and discrete compounds synthesis yielded inhibitor 35, that is highly selective for aggrecanases over a panel of metalloproteases and inhibits the degradation of native fully glycosylated aggrecan. A docking study generated binding conformations explaining the structure activity relationships. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.08.027
• 作为产物：
  描述：

  4-环己基丁腈 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 4-环己基正丁胺
  参考文献：
  名称：

  阳极苄基C（sp 3）–H胺化：统一获得吡咯烷和哌啶

  摘要：

  开发了一种电化学脂肪族CH胺化策略，以在统一的反应方案中访问吡咯烷和哌啶的重要杂环基序。这种前所未有的C–H胺化策略的机制涉及阳极C–H活化以生成苄基阳离子，该阳离子被氮亲核试剂有效捕获。对于包含5元和6元环形成的40个实例证明了该方法的适用性。

  DOI：

  10.1039/c8gc01411f

文献信息

• Use of substituted 2 phenylbenzimidazoles as medicaments
  申请人：Streicher Ruediger

  公开号：US20050014810A1

  公开（公告）日：2005-01-20

  The present invention relates to the use of a substituted 2-phenylbenzimidazole of formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 and m have the meanings given in the claims, for the preparation of a medicament for the treatment or prevention of diseases involving glucagon receptors, as well as new compounds of formula I wherein R 1 is a group of formula

  本发明涉及使用式I的取代2-苯基苯并咪唑，其中R1、R2、R3、R4、R5和m具有权利要求中给出的含义，用于制备治疗或预防涉及胰高血糖素受体疾病的药物，以及式I的新化合物，其中R1是一个公式的基团。
• [EN] NOVEL COMPOUNDS, THEIR PREPARATION AND USE<br/>[FR] NOUVEAUX COMPOSES, LEUR PREPARATION ET LEUR UTILISATION
  申请人：NOVO NORDISK AS

  公开号：WO2005105725A1

  公开（公告）日：2005-11-10

  Novel compounds of the general formula (I), in which the variables are as defined in claim 1, the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds are useful in the treatment and/or prevention of conditions mediated by Peroxisome Proliferator-Activated Receptors (PPAR), in particular the PPARδ subtype, namely, type 1 diabetes, type 2 diabetes, dyslipidaemia, syndrome X (including the metabolic syndrome, i.e. impaired glucose tolerance, insulin resistance, hypertriglyceridaemia and/or obesity), cardiovascular diseases (including atherosclerosis) and hypercholesterolaemia.

  通用公式（I）的新化合物，其中变量如权利要求1中定义的那样，这些化合物作为药物组成物的用途，包含这些化合物的药物组成物以及使用这些化合物和组成物的治疗方法。这些化合物在治疗和/或预防由过氧化物酶体增殖物激活受体（PPAR）介导的疾病中有用，特别是PPARδ亚型，即1型糖尿病，2型糖尿病，血脂异常，X综合征（包括代谢综合征，即糖耐量受损，胰岛素抵抗，高三酰甘油血症和/或肥胖症），心血管疾病（包括动脉粥样硬化）和高胆固醇血症的条件。
• [EN] PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLINONE-CARBOXAMIDE UTILES EN TANT QU'INHIBITEURS DE LIPASE ENDOTHÉLIALE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013048982A1

  公开（公告）日：2013-04-04

  The present invention provides compounds of Formula (I) or Formula (III): [INSERT CHEMICAL STRUCTURE HERE] (I) [INSERT CHEMICAL STRUCTURE HERE] (III) as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了Formula (I)或Formula (III)的化合物：[在此插入化学结构] (I) [在此插入化学结构] (III)，如规范中定义的，并包括任何这类新化合物的组合物。这些化合物是内皮脂酶抑制剂，可用作药物。
• CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS
  申请人：ReSet Therapeutics, Inc.

  公开号：US20150284362A1

  公开（公告）日：2015-10-08

  The subject matter herein is directed to carbazole-containing amide, carbamate, and urea derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , A, D, E, G, J, L, M, Q, a, and b are accordingly described. Also provided are pharmaceutical compositions containing the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, complications associated with diabetes, Cushing's syndrome, NASH, NAFLD, asthma, and COPD.

  本文涉及含有咔唑基的酰胺、碳酸酯和脲衍生物，以及其结构式I中的药用可接受盐或水合物，其中变量R1、R2、R3、R4、R5、R6、R7、A、D、E、G、J、L、M、Q、a和b分别描述。还提供了含有式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，如糖尿病、与糖尿病相关的并发症、库欣综合征、NASH、NAFLD、哮喘和COPD。
• FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN
  申请人：Woodward David F.

  公开号：US20120270915A1

  公开（公告）日：2012-10-25

  Compounds of Formula 1 are described herein. These compounds may be administered to a patient for treatment of suffering from pain or other FAAH mediated conditions.

  本文描述了化学式1的化合物。这些化合物可用于治疗患有疼痛或其他由FAAH介导的疾病的患者。