m - Jodphenylmethylsulphoxid | 70079-50-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: m - Jodphenylmethylsulphoxid
• 英文别名: 1-Iodo-3-(methanesulfinyl)benzene；1-iodo-3-methylsulfinylbenzene
• CAS: 70079-50-4
• 化学式: C₇H₇IOS
• 分子量: 266.102
• InChiKey: STTZZFCBPSRTSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-碘苯甲硫醚 在 imidazolium fluorochromate 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 生成 m - Jodphenylmethylsulphoxid
  参考文献：
  名称：

  Oxidation of Organic Sulfides by Imidazolium Fluorochromate: A Kinetic and Mechanistic Approach

  摘要：

  有机硫化物在咪唑鎓氟铬酸盐的作用下被氧化，形成相应的亚砜。该反应对咪唑鎓氟铬酸盐呈一阶动力学。对反应物观察到米哈伊利斯-门腾型动力学。该反应由对甲苯磺酸催化。氧化反应在十九种不同有机溶剂中进行了研究。根据斯温方程对溶剂效应的分析表明，溶剂的阳离子和阴离子溶剂作用力均起着重要作用。对三十四种硫化物氧化速率的相关性分析采用了不同的单参数和多参数方程。对于芳基甲基硫化物，最佳相关性出现在查顿的LDR和LDRS方程中。烷基芳基硫化物的氧化在帕维利奇-塔夫特方程下表现出良好的相关性。极性反应常数为负，表明在速率决定步骤中存在电子缺乏的硫中心。提出了一种涉及在慢步骤中形成亚砜阳离子中间体的机制。

  DOI：

  10.14233/ajchem.2014.15753

文献信息

• [EN] 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE<br/>[FR] COMPOSÉS DE 2-AMINO-N- (ARYLSULFINYL)-ACÉTAMIDE EN TANT QU'INHIBITEURS DE L'AMINOACYL-ARNT SYNTHÉTASE BACTÉRIENNE
  申请人：OXFORD DRUG DESIGN LTD

  公开号：WO2018065611A1

  公开（公告）日：2018-04-12

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 2-amino-N-(arylsulfinyl)- acetamide compounds that, inter alia, inhibit (e.g., selectively inhibit) bacterial aminoacyl- tRNA synthetase (aaRS) (e.g., bacterial leucyl-t RNA synthetase, LeuRS). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit (e.g., selectively inhibit) bacterial aminoacyl-tRNA synthetase; to treat disorders that are ameliorated by the inhibition (e.g., selective inhibition) of bacterial aminoacyl-tRNA synthetase; to treat bacterial infections; etc.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些2-氨基-N-(芳基砜基)-乙酰胺类化合物，该化合物在诸多方面抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶（aaRS）（例如，细菌亮氨酰-tRNA合成酶，LeuRS）。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶；治疗通过抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶而得到改善的疾病；治疗细菌感染等。
• Kinetics and mechanism of the oxidation of some organic sulfides by morpholinium chlorochromate
  作者：Neha Malani、Manju Baghmar、Pradeep K. Sharma

  DOI：10.1002/kin.20372

  日期：2009.1

  play important roles. The correlation analyses of the rate of oxidation of 34 sulfides were performed in terms of various single and multiparametric equations. For the aryl methyl sulfides, the best correlation is obtained with Charton's localized‐delocalized‐resonance and localized‐delocalized‐resonance‐steric equations. The oxidation of alkyl phenyl sulfides exhibited a very good correlation in terms

  氯铬酸吗啉鎓（MCC）对有机硫化物的氧化导致形成相应的亚砜。就MCC和硫化物而言，该反应是一级反应。该反应由甲苯催化p磺酸（TsOH）。在19种不同的有机溶剂中研究了氧化反应。通过Swain方程对溶剂效果的分析表明，溶剂的阳离子和阴离子溶解能力都起着重要作用。根据各种单参数和多参数方程对34种硫化物的氧化速率进行了相关分析。对于芳基甲基硫化物，最佳的相关性是通过Charton的局部离域共振和局部离域共振空间方程获得的。根据Pavelich-Taft方程，烷基苯基硫化物的氧化表现出非常好的相关性。极性反应常数为负，表示速率确定步骤中的电子不足的硫中心。已经提出了在慢速步骤中涉及形成a阳离子中间体的机理。©2008 Wiley Periodicals，Inc.国际化学杂志Kinet 41：65–72，2009
• Oxidation of organic sulfides by tetraethylammonium chlorochromate: a kinetic and mechanistic study
  作者：Deepika Sharma、P. Pancharia、K. Vadera、Pradeep K. Sharma

  DOI：10.1080/17415993.2011.587519

  日期：2011.8

  The oxidation of organic sulfides by tetraethylammonium chlorochromate (TEACC) resulted in the formation of the corresponding sulfoxides. The reaction is first order with respect to both TEACC and the sulfide. The reaction is catalyzed by toluene-p-sulfonic acid (TsOH). The oxidation was studied in 19 different organic solvents. An analysis of the solvent effect by Swain’s equation showed that both

  有机硫化物被氯铬酸四乙基铵 (TEACC) 氧化导致形成相应的亚砜。就 TEACC 和硫化物而言，该反应是一级反应。该反应由甲苯-对-磺酸（TsOH）催化。在 19 种不同的有机溶剂中研究了氧化反应。通过 Swain 方程对溶剂效应的分析表明，溶剂的阳离子和阴离子溶剂化能力都起着重要作用。根据各种单参数和多参数方程对 34 种硫化物的氧化速率进行了相关分析。对于芳基甲基硫化物，最好的相关性是通过 Charton 的 LDR 和 LDRS 方程获得的。根据 Pavelich-Taft 方程，烷基苯基硫化物的氧化表现出非常好的相关性。极性反应常数为负，表明在限速步骤中存在缺电子的硫中心。已经提出了涉及在缓慢步骤中形成锍阳离子中间体的机制。
• TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF
  申请人：Mediconns (Shanghai) Biopharmaceutical Co., Ltd

  公开号：EP3733670A1

  公开（公告）日：2020-11-04

  The present invention discloses a tetrahydropyrrole compound, a preparation method therefor, a pharmaceutical composition containing the same, and a use thereof. The tetrahydropyrrole compound of the present invention is represented by general formula (I). The tetrahydropyrrole compound of the present invention has better inhibitory effects on the positive symptoms of schizophrenia, and the potency thereof is equivalent to or slightly stronger than that of the positive drug olanzapine. In addition, the compound of the present invention has dual inhibitory effects on D2 receptors and DAT receptors, and is effective for treating schizophrenia and improving negative symptoms and cognitive functions, while also reducing vertebral side effects and prolactin secretion.

  本发明公开了一种四氢吡咯化合物、其制备方法、含有该化合物的药物组合物及其用途。本发明的四氢吡咯化合物由通式（I）表示。本发明的四氢吡咯化合物对精神分裂症阳性症状有较好的抑制作用，其药效与阳性药物奥氮平相当或稍强于奥氮平。此外，本发明化合物对D2受体和DAT受体具有双重抑制作用，能有效治疗精神分裂症，改善阴性症状和认知功能，同时还能减少椎体副作用和催乳素分泌。
• Kinetics and Mechanism of the Oxidation of Organic Sulfides by Bis(2,2‘-bipyridyl)copper(II) Permanganate
  作者：Anupama Bohra、Pradeep K. Sharma、Kalyan K. Banerji

  DOI：10.1021/jo9616015

  日期：1997.5.1

  The oxidation of 34 sulfides by bis(2,2'-bipyridyl)copper(II) permanganate (BBCP) resulted in the formation of the corresponding sulfoxide. The reaction is first order with respect to BBCP. Michaelis-Menten type kinetics were observed with respect to the sulfides. The reaction is catalyzed by H+. The rate of the reaction increases with an increase in the amount of acetic acid in the solvent. The rates of oxidation of meta- and pare-substituted phenyl methyl sulfides showed excellent correlation with Charton's LDR equation. The rates of the ortho-compounds showed excellent correlation with the LDRS equation. The oxidation of the ortho- and pare-compounds is more susceptible to the delocalization effect. The oxidation of the mete-compounds exhibited a greater dependence on the field effects. The reaction is subject to steric inhibition when an ortho-substituent is present. The oxidation of alkyl phenyl sulfides is subject to both polar and steric effects of the alkylgroups. The polar reaction constants are negative, indicating an electron-deficient sulfur center in the rate-determining step. Probable mechanisms are discussed.