3-Methoxy-5-methylphenyl trifluoromethanesulfonate | 211042-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-Methoxy-5-methylphenyl trifluoromethanesulfonate
• 英文别名: 3-trifluoromethanesulfonyloxy-5-methoxytoluene；(3-methoxy-5-methylphenyl) trifluoromethanesulfonate
• CAS: 211042-51-2
• 化学式: C₉H₉F₃O₄S
• 分子量: 270.229
• InChiKey: FYRYPOKRIQAYRT-UHFFFAOYSA-N

物化性质

• 沸点：
  308.526±42.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.414±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-Methoxy-5-methylphenyl trifluoromethanesulfonate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 为溶剂， 20.0~130.0 ℃ 、101.33 kPa 条件下， 反应 9.0h， 生成 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-enone
  参考文献：
  名称：

  （-）-Hamigeran B的简明形式合成

  摘要：

  报告了（-）-hamigeran B的简洁高效的形式合成。关键的中间体由3-甲氧基-5-甲基苯基三氟甲烷磺酸酯合成，总产率为11步，为7.2％。通过分子间的Pauson-Khand反应和Claisen重排反应（ee大于99％）可高效，立体选择性地构建手性季碳；然后将环己烷B通过醛Friedel-Crafts环化反应封闭。最后，通过Suzuki偶联反应引入环C的异丙烯基。

  DOI：

  10.1021/ol400030a
• 作为产物：
  描述：

  3-甲氧基-5-甲基苯酚 在 三氟甲磺酸酐 作用下， 以 吡啶 为溶剂， 以89%的产率得到3-Methoxy-5-methylphenyl trifluoromethanesulfonate
  参考文献：
  名称：

  Imidazolyl compounds as inhibitors of farnesyl-protein tranferase

  摘要：

  本发明涉及式(I)的ras法尼酰化抑制剂，其中T为式(1)或(2)或(3)；A为芳基或杂环芳基；B为芳基或杂环芳基；X和Y代表氢，或者X和Y都可以代表单键（以形成双键）；R1代表式(II)或(III)的基团，式(II)或式(III)的基团（在相应的游离氨基酸的手性α碳处具有L或D构型）；R2代表氢、芳基或杂环芳基；Z代表直接键、亚甲基、乙烯基、乙烯基、氧基、—CH2—O—或—O—CH2—；以及R3—R4、p和r如规范中所定义的或其药学上可接受的盐、前药或溶剂化物。它们的制备方法，作为治疗剂的用途以及含有它们的药物组合物。一个特定用途是在癌症治疗中。

  公开号：

  US06414145B1

文献信息

• Discovery of selective urokinase plasminogen activator (uPA) inhibitors as a potential treatment for multiple sclerosis
  作者：Imadul Islam、Shendong Yuan、Christopher W. West、Marc Adler、Ulrich Bothe、Judi Bryant、Zheng Chang、Kieu Chu、Kumar Emayan、Giovanna Gualtieri、Elena Ho、David Light、Cornell Mallari、John Morser、Gary Phillips、Caralee Schaefer、Drew Sukovich、Marc Whitlow、Deborah Chen、Brad O. Buckman

  DOI：10.1016/j.bmcl.2018.09.001

  日期：2018.11

  We report here the design and synthesis of a novel series of benzylamines that are potent and selective inhibitors of uPA with promising oral availability in rat. Further evaluation of one representative (ZK824859) of the new structural class showed that this compound lowered clinical scores when dosed in either acute or chronic mouse EAE models, suggesting that uPA inhibitors of this type could be

  我们在这里报告了一系列新的苄胺的设计和合成，这些苄胺是uPA的强效和选择性抑制剂，在大鼠中具有良好的口服有效性。对新结构类别的一名代表（ZK824859）的进一步评估表明，该化合物在急性或慢性小鼠EAE模型中给药时降低了临床评分，表明这种类型的uPA抑制剂可用于治疗多发性硬化症。
• Pyrazole derivatives
  申请人：——

  公开号：US20030100554A1

  公开（公告）日：2003-05-29

  This invention relates to pyrazole derivatives of formula (I) 1 or pharmaceutically acceptable salts, solvates or derivatives thereof, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such, the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  这项发明涉及式(I)1的吡唑衍生物或药学上可接受的盐、溶剂合物或衍生物，以及其制备方法、用于其制备的中间体、含有它们的组合物和这些衍生物的用途。本发明的化合物与酶逆转录酶结合，并且是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病方面具有用途，包括那些涉及逆转录酶抑制的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。
• Inhibitors of farnesyl protein transferase
  申请人：Zeneca Limited and Zeneca Pharma S.A.

  公开号：US20030220495A1

  公开（公告）日：2003-11-27

  The present invention relates to inhibitors of ras farnesylation of Formula (1), wherein T is of Formula (1) or (2) or (3), A is aryl or heteroaryl; B is aryl or heteroaryl; X and Y represent hydrogen, or both X and Y can represent a single bond (so as to form a double bond); R 1 represents a group of Formula (II) or (III), the group of Formula (II) or Formula (III) (having L or D configuration at the chiral alpha carbon in the corresponding free amino acid); R 2 represents hydrogen, aryl or heteroaryl; Z represents a direct bond, methylene, ethylene, vinylene, oxy, —CH 2 —O— or —O—CH 2 —; and R 3 —R 4 , p and r are as defined in the specification or a pharmaceutically-acceptable salt, prodrug or solvate thereof. Processes for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them. A particular use is in cancer therapy.

  本发明涉及Formula（1）的ras戊二烯基化抑制剂，其中T为Formula（1）或（2）或（3）的一种，A为芳基或杂芳基；B为芳基或杂芳基；X和Y表示氢，或者X和Y都可以表示单键（以形成双键）；R1表示Formula（II）或（III）的一组，Formula（II）或Formula（III）的一组（在相应的游离氨基酸中，在手性α碳处具有L或D构型）；R2表示氢，芳基或杂芳基；Z表示直接键，亚甲基，乙烯基，氧化物，-CH2-O-或-O-CH2-；以及R3-R4，p和r如说明书中所定义的，或其药学上可接受的盐，前药或溶剂。其制备过程，作为治疗剂的用途以及含有它们的药物组合物。一个特定的用途是在癌症治疗中。
• Pyrazole Derivatives
  申请人：Jones Lyn Howard

  公开号：US20120029192A1

  公开（公告）日：2012-02-02

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such, the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）的吡唑衍生物或其药学上可接受的盐，溶剂或衍生物，以及其制备方法，用于制备中间体的组合物和这些衍生物的用途。本发明的化合物结合酶逆转录酶并且是调节剂，特别是抑制剂。因此，本发明的化合物在治疗包括逆转录酶抑制剂在内的多种疾病方面是有用的。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，例如获得性免疫缺陷综合症（AIDS）。
• PYRAZOLE DERIVATIVES
  申请人：JONES Lyn Howard

  公开号：US20090215712A1

  公开（公告）日：2009-08-27

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereofs, wherein R1 to R4 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodeficiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）的吡唆烷衍生物或其药学上可接受的盐、溶剂或衍生物，其中R1到R4在描述中定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。本发明化合物与酶反转录酶结合，并且是调节剂，特别是抑制剂。因此，本发明化合物在治疗多种疾病中有用，包括那些与反转录酶抑制有关的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关的逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。