2H-吡喃,四氢-2,4,6-三甲基-,(2a,4a,6a)- | 106257-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 2H-吡喃,四氢-2,4,6-三甲基-,(2a,4a,6a)-
• 英文名称: all-cis-2,4,6-trimethyltetrahydropyran
• CAS: 106257-65-2
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: VMVIADZFLIXBSR-RNLVFQAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2H-吡喃,四氢-2,4,6-三甲基-,(2a,4a,6a)- 在 氧气 作用下， 生成 meso-2,2'-bis[all-cis-2,4,6-trimethyltetrahydropyranyl]peroxide
  参考文献：
  名称：

  内消旋四氢吡喃基过氧化物：溶液中，晶体中的分子结构，通过DFT计算及其异构化为外消旋体。

  摘要：

  结晶过氧化物3a是全顺式2,4,6-三甲基四氢吡喃（2a）空中过氧化的主要产物（理论上为10种）。如核Overhauser效应和X射线分析所示，它在溶液和晶体中均具有相似的结构。在密度泛函理论水平（B3LYP / 6-31G）上进行的理论计算可洞察该过氧化物的不同立体异构体的稳定性，这说明了从内消旋形式到外消旋物的易受酸催化的异构化。22种理论上可能的异构体中，过氧化物3b（即3a的2-叔丁基类似物）以相似的内消旋形式结晶。由于晶体堆积效应以及固有的（轴向）手性过氧化物“发色团”与反周平面构型略有不同，

  DOI：

  10.1021/jo026839+
• 作为产物：
  描述：

  2,4,6-三甲基吡喃鎓高氯酸盐 在 palladium on activated charcoal 氢气 作用下， 以 乙醚 、 水 为溶剂， 生成 2H-吡喃,四氢-2,4,6-三甲基-,(2a,4a,6a)-
  参考文献：
  名称：

  Mihai, Gheorghe; Balaban, Teodor-Silviu, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1986, vol. 41, # 4, p. 502 - 504

  摘要：

  DOI：

文献信息

• Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20170073343A1

  公开（公告）日：2017-03-16

  The present invention provides novel imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives of Formula (I), and the pharmaceutically acceptable salts thereof wherein R 1 , R 1a , R 1b , R 2 , R 4 , R 5 , R 6 , X and Z are as defined in the specification. The invention is also directed to pharmaceutical compositions comprising the compounds of Formula (I) and to use of the compounds in the treatment of diseases associated with LRRK2, such as neurodegenerative diseases including Parkinson's disease or Alzheimer's disease, cancer, Crohn's disease or leprosy.

  本发明提供了新颖的咪唑并[4,5-c]喹啉和咪唑并[4,5-c][1,5]萘啉衍生物的化合物(I)及其药学上可接受的盐，其中R1、R1a、R1b、R2、R4、R5、R6、X和Z如规范中所定义。该发明还涉及包含化合物(I)的药物组合物，以及利用这些化合物治疗与LRRK2相关的疾病，如神经退行性疾病包括帕金森病或阿尔茨海默病、癌症、克罗恩病或麻风病。
• Δ3-Dihydropyrans and tetrahydropyrans by reduction of pyrylium salts with sodium borohydride in acetic acid
  作者：Teodor-Silviu Balaban、Alexandru T Balaban

  DOI：10.1016/s0040-4039(00)95365-6

  日期：1987.1

  major reduction products with triacetoxyborohydride (NaBH4 in AcOH) of 2,4,6-trisubstituted pyrylium salts bearing alkyl substituents in the 2- and/or 6- position are the Δ3-dihydropyrans with 2- and 6- substituents and the all--2,4,6-trisubstituted tetrahydropyrans. Δ3-Dihydropyrans are shown to be formed 2H-pyrans by a 1,4 reduction while tetrahydropyrans result from 4H-pyrans by reduction of both

  主要还原产物与三乙酰氧基硼（加入NaBH 4的AcOH）2,4,6-三取代的吡喃鎓盐轴承烷基取代基在2-和/或6-位置是Δ 3 -dihydropyrans与2-和6-取代基和全-2,4,6-三取代的四氢吡喃。Δ 3 -Dihydropyrans被示出为形成由1,4-还原2H吡喃而四氢吡喃通过还原既烯醇-醚双键的从4H-吡喃导致。
• [EN] COMBINATION THERAPY COMPRISING|1 -ETHYL-3-[5-[2-{1 -HYDROXY-1 -METHYL-ETHYL}PYRIMIDIN-5-YL]-7-(TETRA HYDROFURAN-2-|YL}-1 H-BENZIMIDAZOL-2-YL]UREA AND DERIVATIVES THEREOF TO TREAT MYCOBACTERIUM|DISEASES<br/>[FR] THÉRAPIE COMBINÉE COMPRENANT DE LA 1-ÉTHYL-3[5-[-2-{1-HYDROXY-1-MÉTHYL-ÉTHYL}PYRIMIDIN-5-YL]-7-(TÉTRAHYDROFURAN-2-YL}-1H-BENZIMIDAZOL-2-YL]URÉE ET SES DÉRIVÉS POUR TRAITER DES MALADIES MYCOBACTÉRIENNES
  申请人：VERTEX PHARMA

  公开号：WO2014014845A1

  公开（公告）日：2014-01-23

  The present invention relates to combination therapies comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein X and R are as defined herein. The compounds of formula (I) are useful as gyrase and/or topoisomerase IV inhibitors for treating bacterial infections. The compounds of formula (I) either possess a broad range of anti-bacterial activity and advantageous toxicological properties or are prodrugs of compounds having said activity.

  本发明涉及组合疗法，包括公式(I)化合物或其药学上可接受的盐，其中X和R如本文所定义。公式(I)化合物可用作革兰氏阴性菌和/或拓扑异构酶IV抑制剂，用于治疗细菌感染。公式(I)化合物具有广泛的抗菌活性和优越的毒理学特性，或是具有该活性的化合物的前药。
• SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS
  申请人：Janssen Pharmaceutica NV

  公开号：US20140163031A1

  公开（公告）日：2014-06-12

  The present invention relates to compounds of Formula (I), wherein X 1 , X 2 , X 3 , X 4 , R 1 , R 2 , R 3 , and Q are as defined herein, useful as N-type calcium channel blockers.

  本发明涉及式(I)的化合物，其中X1、X2、X3、X4、R1、R2、R3和Q的定义如本文所述，作为N型钙通道阻滞剂有用。
• Transition metal complex compound and organic electroluminescence device using the compound
  申请人：Watanabe Masami

  公开号：US20070176540A1

  公开（公告）日：2007-08-02

  Provided are an organic electroluminescence device having high luminous efficiency and a long emission lifetime, and a transition metal complex compound realizing the organic electroluminescence device. In the transition metal complex compound, three ligands are crosslinked with a crosslinking group having a saturated cyclic structure or a saturated polycyclic structure in a tripod manner. The organic electroluminescence device includes an organic thin film layer composed of one or multiple layers including at least a light emitting layer, the organic thin film layer being interposed between a pair of electrodes. In the organic electroluminescence device, at least one layer of the organic thin film layer contains the transition metal complex compound.