草酸二辛酯 | 20760-45-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 草酸二辛酯
• 英文名称: dioctyl oxalate
• CAS: 20760-45-6
• 化学式: C₁₈H₃₄O₄
• 分子量: 314.466
• InChiKey: PEJVLWCOQVHCAF-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±11.0 °C(Predicted)
• 密度：
  0.945±0.06 g/cm3(Predicted)
• 保留指数：
  2101

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917119000

反应信息

• 作为反应物：
  描述：

  草酸二辛酯 、 DL-亮氨酸 在 三乙胺 作用下， 以 二甲基亚砜 、 异丙醇 、 乙腈 为溶剂， 反应 48.0h， 以30.2%的产率得到
  参考文献：
  名称：

  Complementary Steric Engineering at the Protein–Ligand Interface for Analogue-Sensitive TET Oxygenases

  摘要：

  Ten-eleven translocation (TET) enzymes employ O-2 earth-abundant iron, and 2-ketoglutarate (2KG) to perform iterative C-H oxidation of 5-methylcytosine in DNA to control expression of the mammalian genome. Given that more than 60 such C-H oxygenases are present in humans, determining context-dependent functions of each of these enzymes is a pivotal challenge. In an effort to tackle the problem, we developed analogue-sensitive TET enzymes to perturb the activity of a specific member. We rationally engineered the TET2-2KG interface to develop TET2 variants with an expanded active site that can be specifically inhibited by the N-oxalylglycine (NOG) derivatives carrying a complementary steric "bump". Herein, we describe the identification and engineering of a bulky gatekeeper residue for TET proteins, characterize the orthogonal mutant-inhibitor pairs, and show generality of the approach. Employing cell-permeable NOG analogues, we show that the TET2 mutant can be specifically inhibited to conditionally modulate cytosine methylation in chromosomal DNA in intact human cells. Finally, we demonstrate application of the orthogonal mutant-inhibitor pair to probe transcriptional activity of a specific TET member in cells. Our work provides a general platform for developing analogue-sensitive 2KG-dependent oxygenases to unravel their functions in diverse signaling processes.

  DOI：

  10.1021/jacs.8b05283
• 作为产物：
  描述：

  草酰氯 、 辛醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以89%的产率得到草酸二辛酯
  参考文献：
  名称：

  New stereospecific synthesis of Tesaglitazar and Navaglitazar precursors

  摘要：

  A new synthetic route of to pharmaceutical intermediates (S)-1a-b and (S)-14 is reported. The reaction pathway is based on the baker's yeast-mediated reduction of the alpha-alkoxy cinnamaldehydes 9a-c to give the corresponding (S)-alcohols in good yields and excellent ee. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.10.027

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018137593A1

  公开（公告）日：2018-08-02

  Provided are novel compounds that inhibit LRRK2 kinase activity, processes for their preparation, compositions containing them and their use in the treatment of or prevention of diseases associated with or characterized by LRRK2 kinase activity, for example Parkinson's disease, Alzheimer's disease and amyotrophic lateral sclerosis (ALS).

  提供了抑制LRRK2激酶活性的新化合物，以及它们的制备方法、含有它们的组合物以及它们在治疗或预防与LRRK2激酶活性相关或以其为特征的疾病中的用途，例如帕金森病、阿尔茨海默病和肌萎缩侧索硬化症（ALS）。
• PROCESS FOR PREPARING DIARYL OXALATE
  申请人：Tanaka Shuji

  公开号：US20120296063A1

  公开（公告）日：2012-11-22

  Disclosed is a process for preparing a diaryl oxalate which comprises the step of transesterifying a dialkyl oxalate or/and an alkylaryl oxalate with an aryl alcohol in the presence of a tetra(aryloxy)titanium as a catalyst, wherein the tetra(aryloxy)titanium is fed into a reaction system of the transesterification as an aryl alcohol solution of the tetra(aryloxy)titanium which is prepared by reacting a tetraalkoxy titanium and an excess amount of the aryl alcohol and removing a by-producing alkyl alcohol.

  揭示了一种制备二芳基草酸酯的方法，包括在四(芳氧基)钛存在下，通过将二烷基草酸酯和/或烷基芳基草酸酯与芳基醇进行酯交换的步骤，其中四(芳氧基)钛以芳基醇溶液的形式加入酯交换的反应系统中，该芳基醇溶液是通过将四烷氧基钛和过量的芳基醇反应制备的，并去除生成的副产物烷基醇。
• [EN] PROCESS FOR THE PRODUCTION OF ETHYLENE GLYCOL AND RELATED COMPOUNDS<br/>[FR] PROCÉDÉ DE PRODUCTION DE L'ÉTHYLÈNE GLYCOL ET DE COMPOSÉS ANALOGUES
  申请人：SHELL INT RESEARCH

  公开号：WO2010130696A1

  公开（公告）日：2010-11-18

  The present invention provide a process for the production of compounds of general formula (I), Y-CH2CH2-Z (I) wherein Y and Z are functional groups independently selected from the group consisting of a hydroxyl group and R1R2N and wherein R1 and R2 may be the same or different and are functional groups selected from the group consisting of hydrogen and substituted or non- substituited alkyl groups comprising 1 to 8 carbon atoms, or R1R2N is a cyclic compound selected from the group of aromatic and non-aromatic cyclic compounds optionally comprising one or more heteroatoms in addition to the nitrogen atom, said process comprising the steps of: (i) reacting carbon monoxide and an amine in the presence of oxygen to provide a compound of general formula (II) wherein R1 and R2 or R1R2N are as defined above and X is selected from the group consisting of R1R2N and R3O, wherein R3 is selected from alkyl groups comprising 1 to 8 carbon atoms; and (ii) converting the compound of general formula (II) into a compound of general formula (I) by a process that comprises a hydrogenation reaction.

  本发明提供了一种生产一般式(I)化合物的方法，其中Y-CH2CH2-Z(I)，其中Y和Z分别是从羟基和R1R2N组成的群中独立选择的官能团，其中R1和R2可以相同也可以不同，并且是从氢和取代或非取代的含有1至8个碳原子的烷基组成的群中选择的官能团，或者R1R2N是从芳香和非芳香环化合物组成的群中选取的一个环化合物，该环化合物除氮原子外还可以包含一个或多个杂原子，所述方法包括以下步骤：(i)在氧气存在下，将一氧化碳和胺反应，得到一般式(II)化合物，其中R1和R2或R1R2N如上定义，X选自R1R2N和R3O组成的群，其中R3选自含有1至8个碳原子的烷基组成的群；(ii)通过包括氢化反应的过程将一般式(II)化合物转化为一般式(I)化合物。
• Method of producing nanoparticle suspensions
  申请人：Engel Robert

  公开号：US09296685B2

  公开（公告）日：2016-03-29

  Method of producing a nanoparticle suspension with the steps (i) preparation of an emulsion of a disperse polar phase, where the aqueous phase comprises one or more precursor substances forming the nanoparticles, in a continuous organic phase in the presence of an emulsifier stabilizing the emulsion, (ii) conversion of the one or more precursor substances to nanoparticles in the disperse aqueous phase, (iii) breaking of the emulsion and phase separation, where the nanoparticle suspension is obtained as one phase, (iv) separation off of the nanoparticle suspension, (v) optionally isolation of the nanoparticles from the nanoparticle suspension, wherein the emulsifier is selected from compounds of the general formula (I) in which X is O, NH, Y is C(O), NH, R is a saturated or a mono- or polyunsaturated, linear or branched hydrocarbon radical having 6 to 30 carbon atoms and R1 is hydrogen or C1-C4-alkyl, and R2 is a saturated or a mono- or polyunsaturated, linear or branched hydrocarbon radical having 1 to 30 carbon atoms, preferably 6 to 30 carbon atoms, R3 is C1-C4-alkyl, n is 0 or 1, and the breaking of the emulsion is effected by splitting the emulsifier.

  生产纳米粒子悬浮液的方法包括以下步骤：(i) 准备分散极性相的乳液，其中水相包括形成纳米粒子的一个或多个前体物质，在连续的有机相中存在一种稳定乳液的乳化剂，(ii) 将一个或多个前体物质转化为纳米粒子在分散水相中，(iii) 打破乳液并相分离，从而得到纳米粒子悬浮液作为一个相，(iv) 分离出纳米粒子悬浮液，(v) 可选地从纳米粒子悬浮液中分离纳米粒子，其中乳化剂选择自以下通式(I)的化合物，其中X为O、NH，Y为C(O)、NH，R为具有6到30个碳原子的饱和或单烯烃、线性或支链烃基，R1为氢或C1-C4-烷基，R2为具有1到30个碳原子的饱和或单烯烃、线性或支链烃基，优选为6到30个碳原子，R3为C1-C4-烷基，n为0或1，乳化剂的打破通过分解乳化剂来实现。
• [EN] IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZO[1,5-A]PYRAZINE EN TANT QU'INHIBITEURS DE PI3KDELTA
  申请人：BEIGENE LTD

  公开号：WO2019047915A1

  公开（公告）日：2019-03-14

  Disclosed is a compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating PI3Kδ related disorders or diseases by using the compound disclosed herein.

  本文揭示了一种式(I)的化合物，或其立体异构体，或其药学上可接受的盐，以及包含该化合物的药物组合物。还揭示了一种利用本文披露的化合物治疗PI3Kδ相关疾病或疾病的方法。