n-十六烷基三氟甲基酮 | 158140-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: n-十六烷基三氟甲基酮
• 英文名称: n-hexadecyl trifluoromethyl ketone
• 英文别名: PACOCF3；1,1,1-Trifluoro-2-octadecanone；1,1,1-trifluorooctadecan-2-one
• CAS: 158140-56-8
• 化学式: C₁₈H₃₃F₃O
• 分子量: 322.455
• InChiKey: SXNLISPLIKPASC-UHFFFAOYSA-N

物化性质

• 沸点：
  345.1±37.0 °C(Predicted)
• 密度：
  0.950±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  n-十六烷基三氟甲基酮 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 (RS)-n-Hexadecyl trifluoromethyl carbinol
  参考文献：
  名称：

  Highly enantioselective synthesis of long chain alkyl trifluoromethyl carbinols and β-thiotrifluoromethyl carbinols through lipases

  摘要：

  Among a variety of lipases tested, Candida antarctica lipase has been found to promote the enantioselective acylation of long chain alkyl trifluoromethyl carbinols 1a-4a and beta-thiotrifluoromethyl carbinols 5a-7a, producing both R and S enantiomeric alcohols in good to excellent chemical yield and enantioselectivity. In all cases the lipase preferentially acylates the S enantiomer, irrespective the presence or not of a sulfur atom in beta position to the hydroxyl group, When the reaction was carried out on the non-fluorinated substrates 1c-2c, the process occurred much faster and with higher e.e. of the less reacting enantiomer than when conducted on the fluorinated substrates. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00256-x
• 作为产物：
  描述：

  1,1,1-Trifluoro-octadecane-2,2-diol 以 水 、 乙腈 为溶剂， 反应 2.5h， 生成 n-十六烷基三氟甲基酮
  参考文献：
  名称：

  New fluorinated derivatives as esterase inhibitors. Synthesis, hydration and crossed specificity studies

  摘要：

  A variety of new fluorinated chemicals have been prepared for the first time and tested as inhibitors of esterases, one of the main enzymes involved in pheromone catabolism, in two economically important pests, the Egyptian armyworm Spodoptera littoralis (SL) and the Mediterranean corn borer Sesamia nonagrioides (SN). Using the respective major component of the pheromone as substrate, the K-m and V-max of the antennal esterase of both insects resulted to be 5.66 x 10(-4) M and 8.47 x 10(-6) Mmin(-1) for SL and 1.61 x 10(-7) M and 1.25 x 10(-7) Mmin(-1) for SN, pointing out that SN esterase has a higher affinity for its corresponding substrate than SL. In general, the trifluoromethyl ketones (TFMKs) exhibited higher inhibitory potency than the corresponding difluoromethyl ketones (DFMKs) or difluoroaldehydes (DFAs). The compounds appeared to hydrate differently in aqueous solution, the extent of hydration following the order: alpha,alpha-DFMKs

  DOI：

  10.1016/s0968-0896(02)00467-4

文献信息

• GENE SENSITIVE TO BONE/JOINT DISEASE AND USE THEREOF
  申请人：Riken

  公开号：EP2153847A1

  公开（公告）日：2010-02-17

  The present invention provides a suppressing agent for inflammatory cytokine expression in joints and/or joint destruction (e.g., articular cartilage destruction) and/or pain in a bone/joint disease, comprising a substance that suppresses the expression or activity of a protein comprising the same or substantially the same amino acid sequence as the amino acid sequence shown by SEQ ID NO:2, a screening method for a substance that regulates inflammatory cytokine expression in joints and/or joint destruction (e.g., articular cartilage destruction) and/or pain in a bone/joint disease, comprising using the protein or a partial peptide thereof, and a diagnostic method for genetic susceptibility to a bone/joint disease, comprising detecting a polymorph in the base shown by base number 24007 in the partial base sequence of the human EDG2 gene shown by SEQ ID NO:3.

  本发明提供了一种抑制关节和/或关节破坏(如关节软骨破坏)和/或骨/关节疾病疼痛中炎性细胞因子表达的制剂，包括一种抑制蛋白质表达或活性的物质，该蛋白质包含与SEQ ID NO:2所示氨基酸序列相同或基本相同的氨基酸序列；一种调节关节和/或关节破坏(如关节软骨破坏)和/或骨/关节疾病疼痛中炎性细胞因子表达的物质的筛选方法，包括使用蛋白质或其部分肽；以及一种骨/关节疾病遗传易感性的诊断方法，该诊断方法包括使用多聚酶联免疫吸附试验(多聚酶联免疫吸附试验)、和骨/关节疾病遗传易感性的诊断方法，包括检测 SEQ ID NO:3 所示人类 EDG2 基因部分碱基序列中碱基编号 24007 所示碱基的多态性。
• USE OF ARACHIDONYL TRIFLUOROMETHYL KETONE
  申请人：Mosaiques Diagnostics And Therapeutics AG

  公开号：EP3677259A1

  公开（公告）日：2020-07-08

  The present invention is related to an inhibitor of cytosolic human phospholipase A2 (cPLA2) activity for use in the treatment of a subject suffering from or being at risk of suffering from a disease caused by or associated with vascular calcification.

  本发明涉及一种细胞质人磷脂酶 A2 (cPLA2)活性抑制剂，用于治疗由血管钙化引起或与血管钙化相关的疾病患者或有患病风险的患者。
• Detoxification of microbial virulence factors in oral cavity
  申请人：The Procter & Gamble Company

  公开号：US10156566B2

  公开（公告）日：2018-12-18

  A method for identifying constituents for detoxifying oral virulence factors and a method for determining the effectiveness of detoxifying agents.

  一种确定口腔致病因子解毒成分的方法和一种确定解毒剂有效性的方法。
• Simultaneous gene editing and haploid induction
  申请人：Syngenta Participations AG

  公开号：US10285348B2

  公开（公告）日：2019-05-14

  The presently disclosed subject matter relates to using a haploid inducing line (whether existing or created) and transforming the haploid line so that it encodes cellular machinery capable of editing genes. The transformed haploid inducing line is used as a parent in a cross between two plants. During pollination, the parental gametes fuse to form an embryo; and the gene editing machinery is also delivered to the embryo at this time. During embryonic development, one set of parental chromosomes are lost, and the gene editing machinery operates on the remaining set of chromosomes. Thus, at least one haploid progeny with edited genes is produced from the cross.

  目前公开的主题涉及使用单倍体诱导系（无论是现有的还是已创建的），并对单倍体诱导系进行转化，使其编码能够编辑基因的细胞机器。转化后的单倍体诱导系在两株植物的杂交中用作亲本。在授粉过程中，亲本配子融合形成胚胎；此时，基因编辑机器也被输送到胚胎中。在胚胎发育过程中，亲本的一组染色体丢失，基因编辑机制在剩余的一组染色体上运行。因此，杂交后至少会产生一个带有编辑基因的单倍体后代。
• METHODS OF PREPARATION OF RECOMBINANT FORMS OF HUMAN BETA-AMYLOID PROTEIN AND USES OF THESE PROTEINS
  申请人：ABBOTT LABORATORIES

  公开号：EP1963363A2

  公开（公告）日：2008-09-03