pentyl thioacetate | 2432-32-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: pentyl thioacetate
• 英文别名: n-Pentylthiolacetat；Pentyl-thioacetat；1-Acetylmercapto-pentan；thioacetic acid S-pentyl ester；Thioessigsaeure-S-pentylester；Ethanethioic acid, S-pentyl ester；S-pentyl ethanethioate
• CAS: 2432-32-8
• 化学式: C₇H₁₄OS
• 分子量: 146.254
• InChiKey: OJWBVDJRMVMXHE-UHFFFAOYSA-N

物化性质

• 保留指数：
  1048;1048

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  pentyl thioacetate 在 sodium methylate 、 三溴化硼 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 3-(4-hydroxyphenyl)-3-methyl-4-[9-(pentylsulfanyl)nonyl]thiochroman-7-ol
  参考文献：
  名称：

  Discovery of thiochroman and chroman derivatives as pure antiestrogens and their structure–activity relationship

  摘要：

  In order to develop pure antiestrogens, a series of 7-hydroxy-3-(4-hydroxyphenyl)-3-methylchroman and 7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman derivatives with sulfoxide containing side chains at the 4-position were designed, synthesized, and evaluated. Among them, compounds 14b and 24b functioned as pure antiestrogens with the ability to downregulate ER, and their in vitro and in vivo antiestrogen activities were similar to those of ICI182,780. In addition, the structure-activity relationship indicated that the (3RS,4RS)-configuration between the 3- and 4-position, the methyl group at the 3-position, the 9-methylene chain between the scaffold and the sulfoxide moiety, and the terminal perfluoroalkyl moiety play an important role in increasing estrogen receptor binding and oral antiestrogen activities. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.03.020
• 作为产物：
  描述：

  戊醇 在 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 pentyl thioacetate
  参考文献：
  名称：

  Discovery of thiochroman and chroman derivatives as pure antiestrogens and their structure–activity relationship

  摘要：

  In order to develop pure antiestrogens, a series of 7-hydroxy-3-(4-hydroxyphenyl)-3-methylchroman and 7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman derivatives with sulfoxide containing side chains at the 4-position were designed, synthesized, and evaluated. Among them, compounds 14b and 24b functioned as pure antiestrogens with the ability to downregulate ER, and their in vitro and in vivo antiestrogen activities were similar to those of ICI182,780. In addition, the structure-activity relationship indicated that the (3RS,4RS)-configuration between the 3- and 4-position, the methyl group at the 3-position, the 9-methylene chain between the scaffold and the sulfoxide moiety, and the terminal perfluoroalkyl moiety play an important role in increasing estrogen receptor binding and oral antiestrogen activities. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.03.020

文献信息

• Benzopyran derivatives
  申请人：C & C Research Laboratories

  公开号：US06153768A1

  公开（公告）日：2000-11-28

  The present invention relates to a novel benzopyran derivative having anti-estrogenic activity. More specifically, the present invention relates to a novel benzopyran derivative represented by formula (I) and pharmaceutically acceptable salt thereof, in which ----- represents a single bond or a double bond; R1 and R2 independently of one another represent hydrogen, hydroxy or OR group, wherein R represents acyl or alkyl; R3 represents hydrogen, lower alkyl or halogeno lower alkyl, provided that when ----- represents a double bond, R3 is not present; R4 represents hydrogen or lower alkyl; A represents a group of formula a, b, c or d; R5, R6 and R7 independently of one another represent hydrogen, alkyl, halogenoalkyl, alkenyl or halogenoalkenyl, or R6 and R7 together with nitrogen atom to which they are bound can form a 4- to 8-membered heterocyclic ring which can be substituted with R5; X represents O, S, or NR8, wherein R8 represents hydrogen or lower alkyl; m denotes an integer of 2 to 15; n denotes an integer of 0 to 2; and p denotes an integer of 0 to 4.

  本发明涉及一种具有抗雌激素活性的新型苯并吡喃衍生物。更具体地，本发明涉及一种由式（I）表示的新型苯并吡喃衍生物及其药学上可接受的盐，其中-----表示单键或双键；R1和R2彼此独立地表示氢、羟基或OR基团，其中R表示酰基或烷基；R3表示氢、较低烷基或卤代较低烷基，但当-----表示双键时，R3不存在；R4表示氢或较低烷基；A表示a、b、c或d式的基团；R5、R6和R7彼此独立地表示氢、烷基、卤代烷基、烯基或卤代烯基，或者R6和R7与它们结合的氮原子一起可以形成一个4-至8-成员的杂环环，该环可以用R5取代；X表示O、S或NR8，其中R8表示氢或较低烷基；m表示2至15的整数；n表示0至2的整数；p表示0至4的整数。
• S-Acylation of aliphatic and aromatic thiols with carboxylic acids and their esters over solid acid catalysts in the gas phase at temperatures above 200°C
  作者：Sayoko Nagashima、Hitomi Yamazaki、Kentaro Kudo、Satoshi Kamiguchi、Teiji Chihara

  DOI：10.1016/j.apcata.2013.06.011

  日期：2013.8

  Benzenethiol is reacted with acetic acid in a hydrogen stream over [(Mo6Cl8)Cl4(H2O)2]·6H2O. Catalytic activity of the clusters appears above 200 °C, yielding S-phenyl thioacetate. The selectivity is 98% at 300 °C. Niobium, tantalum, and tungsten halide clusters with the same octahedral metal framework also catalyze the reaction. Benzoic acid and aliphatic carboxylic acids afford the corresponding S-phenyl

  苯硫醇用乙酸在氢气流中在[（反应的Mo 6氯8）氯4（H 2 O）2 ]·6H 2 O.催化簇出现在200℃以上的活性，得到小号-苯基硫代乙酸酯。在300°C下的选择性为98％。具有相同八面体金属骨架的铌，钽和卤化钨簇也催化该反应。苯甲酸和脂族羧酸通过与苯硫醇反应得到相应的S-苯基碳硫盐。脂肪族硫醇也被S-酰化以产生相应的S-烷基硫代碳酸盐。当羧酸酯与苯硫醇在[（Nb 6 Cl 12）Cl 2（H 2 O）4 ]·4H 2 O上于450°C应用于反应时，该酯的空间不受阻碍的部分被并入产物中：S选择性地获得-苯基硫代乙酸酯或甲基苯基硫。通过热活化在簇状配合物上形成的布朗斯台德酸位点是催化剂的活性位点。因此，在200°C以上稳定的固体酸（例如二氧化硅-氧化铝，沸石和杂多酸）也会催化这些反应。
• External preparation for skin diseases containing nitroimidazole
  申请人：——

  公开号：US20030092754A1

  公开（公告）日：2003-05-15

  An external preparation for skin disease which comprises a nitroimidazole derivative represented by the following formula (I): 1 wherein R 1 , R 3 and R 4 may be the same or different and represent a hydrogen atom, a nitro group, a lower alkyl group, a substituted lower alkyl group, a lower alkenyl group, or a substituted lower alkenyl group; and R 2 represents a hydrogen atom, a lower alkyl group, a substituted lower alkyl group and a lower alkenyl group or a substituted lower alkenyl group, provided that any one of R 1 , R 3 and R 4 is a nitro group.

  一种外用制剂，用于皮肤疾病，包括以下式(I)所代表的硝基咪唑衍生物：1其中R1、R3和R4可以相同也可以不同，并表示氢原子、硝基、低烷基、取代的低烷基、低烯基或取代的低烯基；R2表示氢原子、低烷基、取代的低烷基和低烯基或取代的低烯基，只要R1、R3和R4中的任何一个是硝基。
• POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS
  申请人：The Regents of the University of California

  公开号：US20150238516A1

  公开（公告）日：2015-08-27

  The disclosure provides methods and compositions for delivering polynucleotides into cells. The disclosure provides transiently protected polynucleotides comprising an anionic charge-neutralizing moiety/group, which may also confer additional functionality. These compounds can enter the cytosol of cells by endocytic or macropinocytic mechanisms. The transient protecting group is bioreversible, i.e., once inside a cell, it is designed to be removed by enzymatic activity or by passive intracellular methods (e.g., changes in pH or reductive environment).

  该披露提供了将多核苷酸传递到细胞中的方法和组合物。该披露提供了暂时保护的多核苷酸，其中包含一个阴离子电荷中和的基团，这可能还赋予了额外的功能。这些化合物可以通过内吞或巨胞吞噬机制进入细胞的细胞质。暂时的保护基团是可生物逆转的，即一旦进入细胞内，它被设计为能够通过酶活性或被动的细胞内方法（例如，pH值的变化或还原环境）来去除。
• [EN] COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES<br/>[FR] COMPOSITIONS ET PROCÉDÉS COMPRENANT DES ANALOGUES DE LA CAPURAMYCINE
  申请人：SEQUELLA INC

  公开号：WO2009136965A1

  公开（公告）日：2009-11-12

  Methods and compositions for treating disease caused by infectious agents, particularly tuberculosis are provided. In particular, methods and compositions comprising substituted derivatives of capuramycin analogs for the treatment of infectious diseases are provided. Also provided are capuramycin analogue formulations comprising PEGylated compounds, including a PEGylated vitamin E derivative, liposomes and nanoparticle carriers. The invention provides methods and compositions comprising a capuramycin analogue and capuramycin analogues in combination with one or more other active agents.

  提供了治疗由传染性病原体引起的疾病的方法和组合物，特别是结核病。具体而言，提供了包括替代卡普拉霉素类似物的衍生物的方法和组合物，用于治疗传染性疾病。还提供了包括PEG化化合物，包括PEG化维生素E衍生物、脂质体和纳米粒载体的卡普拉霉素类似物配方。本发明提供了包括卡普拉霉素类似物和卡普拉霉素类似物与一个或多个其他活性剂的组合物的方法和组合物。

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