1-methoxy-3-methyl-1,3-cyclohexadiene | 2161-93-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methoxy-3-methyl-1,3-cyclohexadiene
• 英文别名: 1-Methoxy-3-methyl-cyclohexa-1,3-dien；methyl-(3-methyl-cyclohexa-1,3-dienyl)-ether；Methyl-(3-methyl-cyclohexa-1,3-dienyl)-aether；5-Methoxy-1-methyl-cyclohexadien-(1.5)；1,3-Cyclohexadiene, 1-methoxy-3-methyl-；1-methoxy-3-methylcyclohexa-1,3-diene
• CAS: 2161-93-5
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: MCQMBGQGJXQLBD-UHFFFAOYSA-N

物化性质

• 沸点：
  165-167 °C
• 密度：
  0.92±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-methoxy-3-methyl-1,3-cyclohexadiene 在 三氯化铝 aluminium hydride 、 氢氧化钾 、 sodium azide 、 草酰氯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 (1S,2R,4R)-1-methoxy-N,5-dimethylbicyclo[2.2.2]oct-5-en-2-amine
  参考文献：
  名称：

  针对明胶的合成研究。高功能化顺式-氢异喹啉的新合成

  摘要：

  如方案3中所述，通过用KH处理容易获得的内-（（氰甲基））-6-羟基双环[2.2.2] oct-5-en-1-基胺，可以以高收率制备顺式-异喹啉。

  DOI：

  10.1016/s0040-4039(00)82113-9
• 作为产物：
  描述：

  1-甲氧基-3-亚甲基环己烯 在 potassium tert-butylate 作用下， 以 环己烷 为溶剂， 生成 1-methoxy-3-methyl-1,3-cyclohexadiene
  参考文献：
  名称：

  Thermodynamics of vinyl ethers. 31. Isomer equilibria in some six- and seven-membered cyclic dienes

  摘要：

  DOI：

  10.1021/jo00224a038

文献信息

• [EN] CORYDALINE DERIVATIVES USEFUL FOR REDUCING LIPID LEVELS<br/>[FR] DÉRIVÉS DE CORYDALINE UTILES DANS LA RÉDUCTION DES TAUX LIPIDIQUES
  申请人：CVI PHARMACEUTICALS LTD

  公开号：WO2010075469A1

  公开（公告）日：2010-07-01

  The present technology relates to compounds of Formulas (V) and (VI) and methods of making and using such compounds. Methods of use include prevention and treatment of hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, hepatic steatosis, and metabolic syndrome. Compounds disclosed herein also lower total cholesterol, LDL- cholesterol, and triglycerides and increase hepatic LDL receptor expression, inhibit PCSK9 expression, and activate AMP-activated potein kinase.

  目前的技术涉及到公式（V）和（VI）的化合物以及制备和使用这些化合物的方法。使用方法包括预防和治疗高脂血症、高胆固醇血症、高甘油三酯血症、肝脂肪变性和代谢综合征。本文披露的化合物还能降低总胆固醇、LDL-胆固醇和甘油三酯，增加肝LDL受体表达，抑制PCSK9表达，并激活AMP激活的蛋白激酶。
• The clemmensen reduction of enol ethers: cyclopropyl ethers from mono- and di-methoxycyclohexa-1,4-dienes
  作者：Irène Elphimoff-Felkin、Pierre Sarda

  DOI：10.1016/s0040-4039(00)85915-8

  日期：1983.1

  Clemmensen reduction (zinc and hydrogen chloride in dry diethyl ether) of 1-methoxy- and 1,5-dimethoxy-cyclohexa-1,4-diene affords the cyclopropyl ethers, 1-methoxy- and 1,5-dimethoxy-bicyclo[3.1.0]hexane; in the presence of acetic anhydride, reduction of 6-acetyl-1-methoxy-6-methyl-cyclohexa-1,4-diene leads regiospecifically to 7-acetoxy-1-methoxy-6,7-dimethyl-bicyclo[4.1.0]hept-4-ene.

  将1-甲氧基-和1,5-二甲氧基-环己-1,4-二烯进行Clemmensen还原（在干燥的乙醚中的锌和氯化氢）得到环丙基醚，1-甲氧基-和1,5-二甲氧基-双环[3.1 .0]己烷；在乙酸酐存在下，6-乙酰基-1-甲氧基-6-甲基-环己-1,4-二烯的还原反应导致区域特异性生成7-乙酰氧基-1-甲氧基-6,7-二甲基-双环[4.1.0 ]庚-4-烯。
• Crystal structures of GSK-3beta protein and protein complexes and their use.
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2295550A2

  公开（公告）日：2011-03-16

  The present invention relates to inhibitors of GSK-3 and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors and methods of utilizing those compositions in the treatment and prevention of various disorders, such as diabetes and Alzheimer's disease. In addition, the invention relates to molecules or molecular complexes which comprise binding pockets of GSK-3β or its homologues. The invention relates to a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. The invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. The invention relates to methods of using the structure coordinates to screen for and design compounds that bind to GSK-3β protein or homologues thereof. The invention also relates to crystallizable compositions and crystals comprising GSK-3β protein or GSK-3β protein complexes.

  本发明涉及 GSK-3 的抑制剂和生产这些抑制剂的方法。本发明还提供了包含这些抑制剂的药物组合物以及利用这些组合物治疗和预防各种疾病（如糖尿病和阿尔茨海默病）的方法。此外，本发明还涉及包含 GSK-3β 或其同源物结合口袋的分子或分子复合物。本发明涉及一种计算机，该计算机包含一个数据存储介质，该介质编码有此类结合口袋的结构坐标。本发明还涉及使用结构坐标求解同源蛋白质或蛋白质复合物结构的方法。本发明涉及使用结构坐标筛选和设计与 GSK-3β 蛋白或其同源物结合的化合物的方法。本发明还涉及包含 GSK-3β 蛋白或 GSK-3β 蛋白复合物的可结晶组合物和晶体。
• SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF
  申请人：University of Tsukuba

  公开号：EP3081553A1

  公开（公告）日：2016-10-19

  The present invention aims to provide a novel low-molecular-weight compound having an orexin agonist activity, which is expected to be useful as a superior agent for the treatment or prophylaxis of narcolepsy. The present invention provides a compound showing superior orexin agonist activity which is represented by the formula (I) wherein each symbol is as defined in the DESCRIPTION, and a pharmaceutically acceptable acid addition salt thereof, as well as an orexin agonist containing the compound or a pharmaceutically acceptable acid addition salt thereof.

  本发明旨在提供一种具有奥曲肽激动剂活性的新型低分子量化合物，该化合物有望成为治疗或预防嗜睡症的优质药物。本发明提供了一种具有优异的奥曲肽激动剂活性的化合物，该化合物由式（I）表示 其中各符号如说明书中所定义，及其药学上可接受的酸加成盐，以及含有该化合物或其药学上可接受的酸加成盐的奥曲肽激动剂。
• MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING
  申请人：Mitsubishi Chemical Corporation

  公开号：EP3121165A1

  公开（公告）日：2017-01-25

  A monoamine compound represented by the following general formula (1): wherein R1 to R3 each independently represent a phenyl group which may have only one substituent in at least one of o- and m-positions, in which the substituent may be bonded to each other to form a cyclic structure, and R1 to R3 are a group different from each other, with the proviso that the monoamine compound is not represented by either one of the following structural formulas:

  由以下通式(1)代表的单胺化合物： 其中 R1 至 R3 各自独立地代表一个苯基，该苯基可在 o 位和 m 位中的至少一个位置上仅有一个取代基，其中的取代基可相互键合以形成环状结构，且 R1 至 R3 是彼此不同的基团，但该单胺化合物不能由下列结构式中的任一结构式表示：