2-methyl-3-methylthio-1,4-naphthoquinone | 2593-55-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-3-methylthio-1,4-naphthoquinone
• 英文别名: 2-methyl-3-methylsulfanyl-[1,4]naphthoquinone；2-Methyl-3-methylmercapto-[1,4]naphthochinon；2-Methyl-3-(methylsulfanyl)naphthalene-1,4-dione；2-methyl-3-methylsulfanylnaphthalene-1,4-dione
• CAS: 2593-55-7
• 化学式: C₁₂H₁₀O₂S
• 分子量: 218.276
• InChiKey: LQCRQSQHGKVTCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-3-methylthio-1,4-naphthoquinone 、 sodium thiomethoxide 以 苯 为溶剂， 反应 4.0h， 以74 mg的产率得到3-methylthio-2-(methylthiomethyl)-1,4-naphthoquinone
  参考文献：
  名称：

  Thomson, Ronald H.; Worthington, Roger D., Journal of the Chemical Society. Perkin transactions I, 1980, p. 282 - 288

  摘要：

  DOI：
• 作为产物：
  描述：

  甲硫醇 、 甲萘醌 在 乙醇 作用下， 生成 2-methyl-3-methylthio-1,4-naphthoquinone
  参考文献：
  名称：

  Miyaki; Ikeda, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 655

  摘要：

  DOI：

文献信息

• Naphthoquinone Antimalarials. XXIII. Bz-Substituted Derivatives
  作者：Louis F. Fieser、Russell H. Brown

  DOI：10.1021/ja01179a010

  日期：1949.11.19
• THOMSON R. H.; WORTHINGTON R. D., J. CHEM. SOC. PERKIN TRANS., PART 1, 1980, NO 1, 282-288
  作者：THOMSON R. H.、 WORTHINGTON R. D.

  DOI：——

  日期：——
• CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS
  申请人：Bresnick Anne R.

  公开号：US20130090355A1

  公开（公告）日：2013-04-11

  The present invention provides methods of preventing or inhibiting tumor metastasis in a subject by administering a therapeutically effective amount of (1) a compound from a group of enumerated compounds, or a pharmaceutically acceptable salt thereof; (2) an agent that covalently modifies at least one cysteine residue of S100A4 protein; or (3) an agent that inhibits the interaction between S100A4 and myosin-IIA.
• [EN] CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS<br/>[FR] AGENTS CHIMIQUES POUR LA PRÉVENTION OU L'INHIBITION DE MÉTASTASES TUMORALES
  申请人：EINSTEIN COLL MED

  公开号：WO2011146101A1

  公开（公告）日：2011-11-24

  The present invention provides methods of preventing or inhibiting tumor metastasis in a subject by administering a therapeutically effective amount of (1) a compound from a group of enumerated compounds, or a pharmaceutically acceptable salt thereof; (2) an agent that covalently modifies at least one cysteine residue of S100A4 protein; or (3) an agent that inhibits the interaction between S100A4 and myosin-IIA.
• Thomson, Ronald H.; Worthington, Roger D., Journal of the Chemical Society. Perkin transactions I, 1980, p. 282 - 288
  作者：Thomson, Ronald H.、Worthington, Roger D.

  DOI：——

  日期：——