4- 环己基醚-苯胺 | 39905-48-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4- 环己基醚-苯胺
• 中文别名: 4-环己基醚-苯胺；4-(环己氧基)苯胺
• 英文名称: 4-(cyclohexyloxy)aniline
• 英文别名: 4-cyclohexyloxyaniline
• CAS: 39905-48-1
• 化学式: C₁₂H₁₇NO
• mdl: MFCD00457982
• 分子量: 191.273
• InChiKey: SNTDJOBXSWWDSN-UHFFFAOYSA-N

物化性质

• 沸点：
  101-102℃ (0.05 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  应存放在室温、避光且处于惰性气体环境中的条件下。

反应信息

• 作为反应物：
  描述：

  4- 环己基醚-苯胺 在 2-甲基苯磺酸 、 hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 6-Cyclohexyloxy-quinoline-2,4-dicarboxylic acid
  参考文献：
  名称：

  Synthesis and in Vitro Pharmacology of Substituted Quinoline-2,4-dicarboxylic Acids as Inhibitors of Vesicular Glutamate Transport

  摘要：

  The vesicular glutamate transport (VGLUT) system selectively mediates the uptake of L-glutamate into synaptic vesicles. Uptake is linked to an H+-ATPase that provides coupling among ATP hydrolysis, an electrochemical proton gradient, and glutamate transport. Substituted quinoline-2,4-dicarboxylic acids (QDCs), prepared by condensation of dimethyl keto-glutaconate (DKG) with substituted anilines and subsequent hydrolysis, were investigated as potential VGLUT inhibitors in synaptic vesicles. A brief panel of substituted QDCs was previously reported (Carrigan et al. Bioorg. Med. Chem. Lett. 1999, 9, 2607-2612), and showed that certain substituents led to more potent competitive inhibitors of VGLUT. Using these compounds as leads, an expanded series of QDC analogues were prepared either by condensation of DKG with novel anilines or via aryl-coupling (Suzuki or Heck) to dimethyl 6-bromoquino-linedicarboxylate. From the panel of almost 50 substituted QDCs tested as inhibitors of the VGLUT system, the 6-PhCH=CH-QDC (K-i = 167 muM), 6-PhCH2CH2-QDC (K-i = 143 muM), 6-(4'-phenylstyryl)-QDC (K-i = 64 AM), and 6-biphenyl-4-yl-QDC (K-i = 41 muM) were found to be the most potent blockers. A preliminary assessment of the key elements needed for binding to the VGLUT protein based on the structure-activity relationships for the panel of substituted QDCs is discussed herein. The substituted QDCs represent the first synthetically derived VGLUT inhibitors and are promising templates for the development of selective transporter inhibitors.

  DOI：

  10.1021/jm010261z
• 作为产物：
  描述：

  溴代环己烷 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 4- 环己基醚-苯胺
  参考文献：
  名称：

  [EN] 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES
  [FR] DÉRIVÉS DE 5-SULFAMOYL-2-HYDROXYBENZAMIDE

  摘要：

  本发明涉及取代水杨酰胺衍生物。具体而言，本发明涉及根据公式(I)的化合物：其中R、R1和R2如本文所述，或其药用可接受的盐。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌症综合症以及与CD73抑制相关的疾病，例如艾滋病、治疗HIV、自身免疫疾病、感染、动脉粥样硬化和缺血再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制CD73活性和治疗与之相关的疾病的方法。

  公开号：

  WO2017153952A1

文献信息

• [EN] MICROBIOCIDAL ANILIDE DERIVATIVES<br/>[FR] DÉRIVÉS D'ANILIDES MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2017076982A1

  公开（公告）日：2017-05-11

  Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, and especially fungicides.

  式（I）中的化合物，其中取代基如权利要求1中定义的那样，可用作杀虫剂，尤其是杀真菌剂。
• Studies on antidiabetic agents. II. Synthesis of 5-(4-(1-methylcyclohexylmethoxy)-benzyl)thiazolidine-2,4-dione (ADD-3878) and its derivatives.
  作者：TAKASHI SOHDA、KATSUTOSHI MIZUNO、EIKO IMAMIYA、YASUO SUGIYAMA、TAKESHI FUJITA、YUTAKA KAWAMATSU

  DOI：10.1248/cpb.30.3580

  日期：——

  More than 100 5-substituted thiazolidine-2, 4-diones were prepared and their hypoglycemic and hypolipidemic activities were evaluated with genetically obese and diabetic mice, yellow KK. The structure-activity relationship study showed that the 5-(4-oxybenzyl) moiety is essential for substantial activity. Among these compounds, 5-(4-cyclohexylmethoxy) benzylthiazolidine-2, 4-dione (47), 5-[4-(1-methylcyclohexylmethoxy) benzyl]-thiazolidine-2, 4-dione (49, ADD-3878) and 5-4-[2-(3-pyridyl) ethoxy] benzyl} thiazolidine-2, 4-dione (59) exhibited the most favorable properties in terms of activity and toxicity.

  合成了100多种5-取代的噻唑烷-2,4-二酮类化合物，并通过遗传性肥胖和糖尿病小鼠（KK黄色小鼠）评估了它们的降血糖和降血脂活性。结构-活性关系研究表明，5-(4-羟基苄基)部分对于显著活性是必要的。在这些化合物中，5-(4-环己基甲氧基)苄基噻唑烷-2,4-二酮（47）、5-[4-(1-甲基环己基甲氧基)苄基]-噻唑烷-2,4-二酮（49，ADD-3878）和5-4-[2-(3-吡啶基)乙氧基]苄基}噻唑烷-2,4-二酮（59）在活性和毒性方面表现出最佳特性。
• [EN] PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS<br/>[FR] COMPOSES DE PYRROLE ET PYRAZOLE PRESENTANT UN EFFET POTENTIATEUR SUR LES RECEPTEURS DU GLUTAMATE
  申请人：LILLY CO ELI

  公开号：WO2005040110A1

  公开（公告）日：2005-05-06

  The present invention relates to pyrrole and pyrazole compounds of formula (I) and their pharmaceutically acceptable salts, and further relates to their use in treating schizophrenia, cognitive deficits associated with schizophrenia, Alzheimer's disease, dementia of the Alzheimer's type, mild cognitive impairment, or depression. The compounds act as potentiators on glutamate receptors, in particular AMPA and the GluR family.

  本发明涉及式(I)的吡咯和吡唑化合物及其药用可接受的盐，并且进一步涉及它们在治疗精神分裂症、与精神分裂症相关的认知缺陷、阿尔茨海默病、阿尔茨海默型痴呆、轻度认知障碍或抑郁症方面的应用。这些化合物作为谷氨酸受体的增强剂，特别是AMPA和GluR家族。
• [EN] AGRICULTURAL CHEMICALS<br/>[FR] PRODUITS CHIMIQUES AGRICOLES
  申请人：GLOBACHEM NV

  公开号：WO2019141980A1

  公开（公告）日：2019-07-25

  The present invention relates to picolinic acid derivatives that are useful in treating fungal diseases ofplants.

  本发明涉及烟酸衍生物，用于治疗植物的真菌性病害。
• PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS
  申请人：Blumenfeld Marta

  公开号：US20090209586A1

  公开（公告）日：2009-08-20

  HPV inhibitors with formula (I) where G 1 represents a hydrocarbonated bond or chain possibly substituted by one or two alkyl groups, G 2 represents a group (see formula Ia+Ib) or R represents a hydrogen, an alkyl, halogenoalkyl, or a prodrug radical such as carbamate, acetyl or dialkylaminomethyl, G represents a bond or a hydrocarbonated chain possibly substituted by one or two alkyls, W represents an oxygen or sulphur, R 1 and R 2 each represent a group chosen from among hydrogen, halogen, hydroxyl, thio, alkoxy, halogenoalkoxy, alkylthio, halogenoalkylthio, amino, monoalkylamino, dialkylamino, cycloalkyl, alkyl or halogenoalkyl, R 3 represents an acid or a prodrug radical of the acid function or a bioisostere of the acid function, A represents an aryl, cycloalkyl, cycloalkenyl or a heterocycle, each possibly substituted, and B represents an aryl or a heterocycle with 6 chains, each possibly substituted, and pharmaceutically acceptable salts.

  HPV抑制剂的化学式（I），其中G1代表一个可能由一个或两个烷基基团取代的碳氢键或链，G2代表一个基团（见化学式Ia+Ib）或R代表氢、烷基、卤代烷基或类似碳酸酯、乙酰基或二烷基氨甲基的前药基团，G代表一个可能由一个或两个烷基取代的碳氢链或键，W代表氧或硫，R1和R2各自代表从氢、卤素、羟基、硫代基、烷氧基、卤代烷氧基、烷基硫代基、卤代烷基硫代基、氨基、单烷基氨基、二烷基氨基、环烷基、烷基或卤代烷基中选择的一个基团，R3代表酸或酸功能的前药基团或酸功能的生物同位素，A代表芳基、环烷基、环烯基或杂环，每个可能被取代，B代表具有6个链的芳基或杂环，每个可能被取代，并且具有药用上可接受的盐。