p-tolylthioacetic acid | 1053657-08-1

• 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: p-tolylthioacetic acid
• 英文别名: 4-methylthiophenylacetic acid；2-(p-Tolyl)ethanethioic O-acid；2-(4-methylphenyl)ethanethioic S-acid
• CAS: 1053657-08-1
• 化学式: C₉H₁₀OS
• mdl: MFCD11519062
• 分子量: 166.244
• InChiKey: XFCBPCPKBAJHCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-tolylthioacetic acid 在 硫酸 作用下， 以 乙醇 为溶剂， 以96%的产率得到S-ethyl 2-(p-tolyl)ethanethioate
  参考文献：
  名称：

  Isoxazolinone antibacterial agents

  摘要：

  这项发明描述了具有抗菌活性并可用于治疗细菌性疾病的异噁唑烷酮化合物。更具体地，提供了具有以下结构式的异噁唑烷酮：

  公开号：

  US06420349B1
• 作为产物：
  描述：

  S-trityl 2-(p-tolyl)ethanethioate 在 二甲基乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 p-tolylthioacetic acid
  参考文献：
  名称：

  Traceless Thioacid-Mediated Radical Cyclization of 1,6-Dienes

  摘要：

  DOI：

  10.1021/acs.joc.3c00824

文献信息

• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  由通用公式(I)表示的化合物或其盐： [T代表氧原子等；V代表CH2等；RO1至RO4代表氢原子等；A代表具有2至8个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（U1代表单键、具有1至4个碳原子的亚烷基等；RW1和RW2代表氢原子等；U2代表单键、具有1至4个碳原子的亚烷基等；U3代表具有1至8个碳原子的烷基等），或碳环或杂环化合物的残基]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• 5-(4-methanesulfonyl-phenyl)-thiazole derivatives for the treatment of acute and chronic inflammatory diseases
  申请人：FAES FARMA, S.A.

  公开号：EP2135864A1

  公开（公告）日：2009-12-23

  The invention relates to the use of a compound of formula (I): or a pharmaceutically acceptable salt, prodrug and/or solvate thereof, in the preparation of a medicament for the treatment of an acute or chronic inflammatory disease, by inhibiting the production of at least one pro-inflammatory cytokine selected from TNF-alpha and IFN-gamma, or by inmunomodulating the IL-8 chemokine and/or the IL-10 regulatory cytokine. The invention also relates to novel compounds of formula (I'): or a pharmaceutically acceptable salt, prodrug and/or solvate thereof, as well as a pharmaceutical composition comprising said compound.

  该发明涉及使用以下式（I）的化合物： 或其药学上可接受的盐、前药和/或溶剂化物，在制备用于治疗急性或慢性炎症性疾病的药物时，通过抑制至少选择自TNF-alpha和IFN-gamma的一种促炎细胞因子的产生，或通过免疫调节IL-8趋化因子和/或IL-10调节细胞因子。该发明还涉及以下式（I'）的新化合物： 或其药学上可接受的盐、前药和/或溶剂化物，以及包含该化合物的药物组合物。
• 5-(4-METHANESULFONYL-PHENYL)-THIAZOLE DERIVATIVES FOR THE TREATMENT OF ACUTE AND CHRONIC INFLAMMATORY DISEASES
  申请人：Rubio Royo Victor

  公开号：US20090312376A1

  公开（公告）日：2009-12-17

  The invention relates to a compound of formula (I): or a pharmaceutically acceptable salt, prodrug and/or solvate thereof, and to a method for the treatment an acute or chronic inflammatory disease by inhibiting the production of at least one pro-inflammatory cytokine selected from TNF-alpha, IFN-gamma, IL-8 and IL-10, which comprises administering to a patient who needs such treatment a therapeutically effective amount of a compound of formula (I) as defined above.

  该发明涉及一种化合物，其化学式为(I)： 或其药学上可接受的盐、前药和/或溶剂化合物，以及通过抑制至少一种从TNF-alpha、IFN-gamma、IL-8和IL-10中选择的促炎细胞因子的产生来治疗急性或慢性炎症性疾病的方法，包括向需要此类治疗的患者施用上述定义的化合物(I)的治疗有效量。
• Fused heteroaromatic glucokinase activators
  申请人：——

  公开号：US20020103199A1

  公开（公告）日：2002-08-01

  Glucokinase activating amides are useful for increasing insulin secretion in the treatment of type II diabetes.

  葡萄糖激酶活化酰胺在治疗II型糖尿病中增加胰岛素分泌方面非常有用。
• CYCLIC TERTIARY AMINE COMPOUND
  申请人：Sankyo Company, Limited

  公开号：EP1632488A1

  公开（公告）日：2006-03-08

  The present invention provides a cyclic tertiary amine compound which is capable of inhibiting the production of inflammatory cytokines. It is either a compound having a structure represented by the following general formula (I): (wherein A represents an optionally substituted trivalent group derived from pyrimidine, pyrrole, or the like; R1 represents an aryl or a heteroaryl group which may optionally be substituted; R2 represents a heteroaryl group which may optionally be substituted; and R3 represents a cyclic tertiary amino group) or a pharmacologically acceptable salt of the compound.

  本发明提供了一种能够抑制炎症细胞因子产生的环状三级胺化合物。它是具有以下一般式(I)所表示结构的化合物：（其中A表示从嘧啶、吡咯等衍生的可选择取代的三价基团；R1表示可能被取代的芳基或杂环芳基团；R2表示可能被取代的杂环芳基团；R3表示环状三级胺基团），或该化合物的药理学可接受的盐。