(+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate | 914222-70-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
• 英文别名: (4R-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate；(4R-Cis)-1,1 dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-acetate；(4R-cis)-1,1-dimethylethyl-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate；tert-butyl 2-(6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate；Tert-butyl [6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate；tert-butyl 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• CAS: 914222-70-1
• 化学式: C₁₄H₂₇NO₄
• 分子量: 273.373
• InChiKey: HWSHVKNLMBMKSR-UHFFFAOYSA-N

物化性质

• 沸点：
  339.8±17.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-氯-2-酰氯噻吩 、 (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate 在 magnesium sulfate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  A low toxic CRM1 degrader: Synthesis and anti-proliferation on MGC803 and HGC27

  摘要：

  Chromosome region maintenance 1 (CRM1) is the sole nuclear exporter of several tumor suppressor, a growth regulatory protein as an attractive cancer drug target. In the present work, a novel CRM1 degrader was discovered from newly synthesized alpha, beta-unsaturated-delta-lactone based on a natural product Goniothalamin. It induces apoptosis of both MGC803 and HGC27 cell lines via degrading CRM1. Selective inhibition was observed for the proliferation of gastric cancer cell lines MGC803, HGC27 comparing to Human Gastric Mucosal Epithelial Cell Line (GES1). For the first time, CRM1 inhibitor or degrader inducing apoptosis in gastric carcinoma was investigated. (C) 2020 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2020.112708
• 作为产物：
  描述：

  1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate 在 aluminum nickel 氨 作用下， 以 甲醇 为溶剂， 生成 (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
  参考文献：
  名称：

  Process for the synthesis of (4R-cis)-1,1-dimethylethyl

  摘要：

  描述了一种改进的工艺，用于制备（4R-cis）-1,1-二甲基乙基6-氰甲基-2,2-二甲基-1,3-二氧杂环戊烷-4-乙酸酯，其中羟基酯衍生物经过两步转化为所需的产物，以及用于该过程的有价值的中间体。

  公开号：

  US05103024A1

文献信息

• [EN] TARGETING COMPOUNDS<br/>[FR] COMPOSÉS DE CIBLAGE
  申请人：ZAFGEN INC

  公开号：WO2019118612A1

  公开（公告）日：2019-06-20

  The disclosure provides, at least in part, liver, intestine and/or kidney-targeting compounds and their use in treating liver, intestine and/or kidney disorders, such as non-alcoholic steatohepatitis, alcoholic steatohepatitis, hepatocellular carcinoma, liver cirrhosis, and hepatitis B; and/or chronic kidney disease, glomerular disease such as IGA nephropathy, lupus nephritis, or polycystic kidney disease. The compounds are contemplated to have activity against methionyl aminopeptidase 2.

  该披露提供了至少部分针对肝脏、肠道和/或肾脏的化合物，以及它们在治疗肝脏、肠道和/或肾脏疾病中的用途，如非酒精性脂肪肝、酒精性脂肪肝、肝细胞癌、肝硬化和乙型肝炎；和/或慢性肾脏疾病、肾小球疾病，如IgA肾病、狼疮性肾炎或多囊肾病。这些化合物被认为对甲硫氨酰氨肽酶2具有活性。
• LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS
  申请人：PARTHASARADHI REDDY Bandi

  公开号：US20110015196A1

  公开（公告）日：2011-01-20

  The invention relates to novel lupeol-type triterpene derivatives and related compounds, and pharmaceutical compositions useful for therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  这项发明涉及新型鲁皮醇类三萜衍生物及相关化合物，以及用于治疗病毒性疾病特别是HIV介导疾病的药物组合物。
• PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN
  申请人：Cho Dong-Ock

  公开号：US20110112309A1

  公开（公告）日：2011-05-12

  The present invention relates to a preparation process useful in synthesis of atorvastatin, more particularly a process for preparing atorvastatin is effective in treating hyperlipemia, comprising protecting the dihydroxy group at C3 and C5 positions of the starting material cis-t-butyl-6-substituted-3,5-dihydroxy-hexanoate with trialkyl orthoformate, reducing the terminal nitro or cyano group to amine group, performing JV-alkylation by sequentially reacting with ethyl 4-fluorobenzene-2-haloacetate and isobutyryl chloride, cyclizing with JV,3-diphenylpropynamide, and performing deprotection and hydrolysis.

  本发明涉及一种在阿托伐他汀合成中有用的制备过程，更具体地，涉及一种制备阿托伐他汀的处理方法，用于治疗高脂血症，包括通过使用三烷基正甲酸酯保护起始物质顺丁基-6-取代-3,5-二羟基己酸酯的C3和C5位置的二羟基基团，将末端硝基或氰基还原为胺基团，通过依次与乙基4-氟苯基-2-卤代乙酸酯和异丁酰氯反应进行JV-烷基化，与JV，3-二苯基丙炔酰胺环化，并进行去保护和水解。
• A One-Pot Construction of Halogenated Trifluoromethylated Pyrroles through NXS (X = Br, I) Triggered Cascade
  作者：Chaoqian Huang、Yu Zeng、Huayu Cheng、Anjing Hu、Lu Liu、Yuanjing Xiao、Junliang Zhang

  DOI：10.1021/acs.orglett.7b02427

  日期：2017.9.15

  An easy two-step, one-pot synthesis of halogenated trifluoromethylated pyrroles is realized by sequential intermolecular hydroamination reaction of 2-trifluoromethyl-1,3-enynes with aliphatic primary amines under mild reaction conditions, and NXS mediated oxidative cyclization of the hydroamination product. The salient features of this method include mild conditions, readily available starting materials

  通过在温和的反应条件下，将2-三氟甲基-1,3-烯炔与脂肪族伯胺进行分子间加氢胺化反应，再由NXS介导的加氢胺化产物的氧化环化反应，可以轻松实现两步一锅法合成卤代三氟甲基化吡咯。该方法的显着特征包括温和的条件，容易获得的起始原料，一般的底物范围，高效和产物的合成效用。
• NOVEL PYRROLE DERIVATIVES AND THEIR SYNTHESIS
  申请人：PRADHAN Braja SUNDAR

  公开号：US20110263870A1

  公开（公告）日：2011-10-27

  The present invention relates to two novel pyrrole derivatives [3-Phenyl-4-(phenylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-pyrrole-1-yl]methyl(diphenyl)phosphine oxide and Diethyl [3-Phenyl-4-(phenylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-pyrrole-1-yl]methylphosphonate. These pyrrole derivatives can be used as intermediates for the synthesis of the anticholesterol drug atorvastatin.

  该发明涉及两种新颖的吡咯衍生物[3-苯基-4-(苯基氨甲酰)-2-(4-氟苯基)-5-(1-甲基乙基)-吡咯-1-基]甲基(二苯基)膦氧化物和[3-苯基-4-(苯基氨甲酰)-2-(4-氟苯基)-5-(1-甲基乙基)-吡咯-1-基]甲基膦酸二乙酯。这些吡咯衍生物可用作合成抗胆固醇药物阿托伐他汀的中间体。