S-methyl-12-thiododecanoic acid | 135982-08-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: S-methyl-12-thiododecanoic acid
• 英文别名: 12-[methylthio]dodecanoic acid；13-Thiatetradecanoic acid；12-methylsulfanyldodecanoic acid
• CAS: 135982-08-0
• 化学式: C₁₃H₂₆O₂S
• 分子量: 246.414
• InChiKey: QVWKWIZMGDKIHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 12-(methylthio)dodecanoate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 48.0h， 以68%的产率得到S-methyl-12-thiododecanoic acid
  参考文献：
  名称：

  [EN] INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA
  [FR] INHIBITEURS DE LA FORMATION DE BIOFILMS DE BACTÉRIES GRAM POSITIF ET GRAM NÉGATIF

  摘要：

  公开号：

  WO2009077844A3

文献信息

• [EN] VIRUCIDAL COMPOSITIONS AND USE THEREOF<br/>[FR] COMPOSITIONS VIROCIDES ET LEUR UTILISATION
  申请人：ECOLE POLYTECHNIQUE FED LAUSANNE EPFL

  公开号：WO2021198139A1

  公开（公告）日：2021-10-07

  The invention relates to virucidal compositions comprising a sialic acid (SA) moiety, pharmaceutical compositions and disinfection and/or sterilization compositions comprising thereof and uses thereof in disinfection and/or sterilization methods and in treating and/or preventing COVID-19 and other respiratory diseases caused by coronaviruses and/or influenza viruses.

  该发明涉及含有唾液酸（SA）基团的灭病毒组合物，包括其中的药物组合物和消毒/灭菌组合物，以及在消毒/灭菌方法中使用它们以及在治疗和/或预防由冠状病毒和/或流感病毒引起的COVID-19和其他呼吸道疾病中的用途。
• INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA
  申请人：Ammendola Aldo

  公开号：US20090192192A1

  公开（公告）日：2009-07-30

  The present invention relates to the use of compounds as broad spectrum inhibitors of bacterial biofilm formation. In particular the invention refers to a family of compounds that block the quorum sensing system of Gram-negative and Gram-positive bacteria, a process for their manufacture, pharmaceutical compositions containing them and to their use for the treatment and prevention of bacterial damages and diseases, in particular for diseases where there is an advantage in inhibiting quorum sensing regulated phenotypes of pathogens.

  本发明涉及使用化合物作为广谱细菌生物膜形成的抑制剂。具体而言，本发明涉及一系列化合物，能够阻断革兰氏阴性和革兰氏阳性细菌的群体感应系统，一种制造它们的方法，含有它们的制药组合物以及它们用于治疗和预防细菌损害和疾病的用途，特别是对于需要抑制病原体的群体感应调节表型的疾病有优势的情况。
• Rhizoxin derivates and their use as anti-tumor agents
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0350315A1

  公开（公告）日：1990-01-10

  Rhizoxin and rhizoxin-2-ene derivatives of formula (I): [in which: n is 1 to 25; A is an extra bond or oxygen, X is oxygen, sulphur, nitrogen or carbonyl; and R is hydrogen, carboxylic acyl having from 1 to 25 carbon atoms, alkoxycarbonyl group having from 2 to 26 carbon atoms, phosphono, alkylphosphono group in which the alkyl part has from 1 to 25 carbon atoms, dialkyl­phosphono group in which each alkyl part has from 1 to 25 carbon atoms, alkyl group having from 1 to 25 carbon atoms, aralkyl, cycloalkyl, heterocyclic, alkylthio group in which the alkyl part has from 1 to 25 carbon atoms, aralkylthio, or heterocyclylthio, or when X represents a nitrogen atom, R is R¹ and R², where R¹ and R² are hydrogen, alkyl, acyl, alkoxycarbonyl, phosphono, alkylphosphono or dialkylphosphono] have valuable anti-tumour activity. They may be prepared by acylation of rhizoxin or rhizoxin-2-ene.

  式(I)的根肿灵和根肿灵-2-烯衍生物： 其中n 为 1 至 25；A 为额外键或氧，X 为氧、硫、氮或羰基；和 R 是氢、具有 1 至 25 个碳原子的羧酰基、具有 2 至 26 个碳原子的烷氧羰基、膦酰基、烷基膦酰基（其中烷基部分具有 1 至 25 个碳原子）、二烷基膦酰基（其中每个烷基部分具有 1 至 25 个碳原子）、具有 1 至 25 个碳原子的烷基、或当 X 代表氮原子时，R 为 R¹ 和 R²，其中 R¹ 和 R²为氢、烷基、酰基、烷氧羰基、膦酰基、烷基膦酰基或二烷基膦酰基]具有重要的抗肿瘤活性。它们可通过 rhizoxin 或 rhizoxin-2-ene 的酰化反应制备。
• Development of 11C-Labeled ω-sulfhydryl fatty acid tracer for myocardial imaging with PET
  作者：Xiangxiang Wu、Peizhi Wang、Ruixin Liu、Huahui Zeng、Fangfang Chao、Hao Liu、Caiyun Xu、Haifeng Hou、Qiong Yao

  DOI：10.1016/j.ejmech.2017.10.062

  日期：2018.1

  [C-11]-S-methyl-16-thiopalmitic acid (a) was developed with excellent heart-to-background uptake ratios and higher retention in heart. Myocardial uptake and metabolism of the tracer is markedly higher CPT I dependent. When compared to [C-11]-S-methyl-14-thiomyristic acid (b), [C-11]-S-methyl-12-thiododecanoic acid (c) and [C-11]-palmitate, a showed an early high uptake and a significantly slower late clearance in heart and a prolonged myocardial elimination half-life (30 min). Analysis of heart tissue and urine samples showed that a was metabolized via beta-oxidation in myocardium. Small animal PET images of the accumulation of a in the rat myocardium were clearly superior to [C-11]-palmitate. These initial studies suggest that a could be a potentially useful clinical PET tracer to assess myocardial fatty acid metabolism. (C) 2017 Elsevier Masson SAS. All rights reserved.
• US5352689A
  申请人：——

  公开号：US5352689A

  公开（公告）日：1994-10-04