N-2-Methyl-cyclohexyl-cyclohexylamin | 7616-98-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-2-Methyl-cyclohexyl-cyclohexylamin
• 英文别名: N-Cyclohexyl-2-methyl-cyclohexylamin；cyclohexyl-(2-methyl-cyclohexyl)-amine；2-Methyl-dicyclohexylamin；N-cyclohexyl-2-methylcyclohexan-1-amine
• CAS: 7616-98-0
• 化学式: C₁₃H₂₅N
• mdl: MFCD11138563
• 分子量: 195.348
• InChiKey: IPQRVOIHJBWUEL-UHFFFAOYSA-N

物化性质

• 沸点：
  260 °C
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-环丙基异噁唑-3-羰酰氯 、 N-2-Methyl-cyclohexyl-cyclohexylamin 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-cyclohexyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
  参考文献：
  名称：

  Discovery, design and synthesis of a selective S1P3 receptor allosteric agonist

  摘要：

  Potent and selective S1P(3) receptor (S1P(3)-R) agonists may represent important proof-of-principle tools used to clarify the receptor biological function and assess the therapeutic potential of the S1P(3)-R in cardiovascular, inflammatory and pulmonary diseases. N, N-Dicyclohexyl-5-propylisoxazole-3-carboxamide was identified by a high-throughput screening of MLSMR library as a promising S1P(3)-R agonist. Rational chemical modifications of the hit allowed the identification of N, N-dicyclohexyl-5-cyclopropylisoxazole-3-carboxamide, a S1P(3)-R agonist endowed with submicromolar activity and exquisite selectivity over the remaining S1P(1,2,4,5)-R family members. A combination of ligand competition, site-directed mutagenesis and molecular modeling studies showed that the N, N-dicyclohexyl-5-cyclopropylisoxazole-3-carboxamide is an allosteric agonist and binds to the S1P(3)-R in a manner that does not disrupt the S1P(3)-R-S1P binding. The lead molecule herein disclosed constitutes a valuable pharmacological tool to explore the molecular basis of the receptor function, and provides the bases for further rational design of more potent and drug-like S1P(3)-R allosteric agonists. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.075
• 作为产物：
  描述：

  2-甲基环己酮 在 potassium fluoride 、 aluminium amalgam 作用下， 生成 N-2-Methyl-cyclohexyl-cyclohexylamin
  参考文献：
  名称：

  The Reduction of Schiff Bases with Aluminum Amalgam

  摘要：

  DOI：

  10.1246/bcsj.41.506

文献信息

• [EN] HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS<br/>[FR] HETEROARYL-UREES ET LEUR UTILISATION EN TANT QU'ACTIVATEURS DE GLUCOKINASE
  申请人：NOVO NORDISK AS

  公开号：WO2005066145A1

  公开（公告）日：2005-07-21

  This invention relates to compounds that are of formula (I) wherein A is heteroaryl and R1 and R2 are both cyclic residues, that are activators of glucokinase and thus may be useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial .

  这项发明涉及具有以下结构的化合物（I），其中A是杂环烷基，R1和R2都是环状残基，这些化合物是葡萄糖激酶的激活剂，因此可能对管理、治疗、控制或辅助治疗需要增加葡萄糖激酶活性的疾病有益。
• Heteroaryl-Ureas and Their Use as Glucokinase Activators
  申请人：Murray Anthony

  公开号：US20090216013A1

  公开（公告）日：2009-08-27

  This invention relates to compounds of formula (I) which are activators of glucokinase and thus may be useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial.

  本发明涉及公式（I）的化合物，其为葡萄糖激酶激活剂，因此可能对增加葡萄糖激酶活性有益的疾病的管理、治疗、控制或辅助治疗有用。
• Heteroaryl-ureas and their use as glucokinase activators
  申请人：Murray Anthony

  公开号：US20070054897A1

  公开（公告）日：2007-03-08

  This invention relates to compounds of formula (I) which are activators of glucokinase and thus may be useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial.

  本发明涉及式（I）的化合物，它们是葡萄糖激酶的激活剂，因此可能对增加葡萄糖激酶活性有益的疾病的管理、治疗、控制或辅助治疗有用。
• HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS
  申请人：Murray Anthony

  公开号：US20110060019A1

  公开（公告）日：2011-03-10

  This invention relates to compounds of formula (I) which are activators of glucokinase and thus may be useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial.

  本发明涉及式（I）化合物，其为葡萄糖激酶的激活剂，因此可能有助于治疗、控制或辅助治疗增加葡萄糖激酶活性有益的疾病。
• ORGANIC ELECTRONIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF
  申请人：Duk San Neolux Co., Ltd.

  公开号：EP3321341A1

  公开（公告）日：2018-05-16

  The present invention provides an organic electric element of which a first electrode, a second electrode, and an organic material layer are sequentially stacked, wherein the organic material layer comprises a hole transport layer, an emission-auxiliary layer and a light emitting layer, at least one layer of the hole transport layer and the emission-auxiliary layer comprises the compound represented by Formula 1, and the light emitting layer comprises the compound represented by Formula 2. According to the present invention, the driving voltage of an organic electronic device can be lowered, and the luminous efficiency, color purity and life time of an organic electronic device can be improved.

  本发明提供了一种有机电子元件，其第一电极、第二电极和有机材料层依次叠加，其中有机材料层包括空穴传输层、发射辅助层和发光层，空穴传输层和发射辅助层中至少有一层由式1表示的化合物组成，发光层由式2表示的化合物组成。根据本发明，可以降低有机电子器件的驱动电压，提高有机电子器件的发光效率、色纯度和使用寿命。