bis(3-methyl-4-methylthiophenyl)disulfide | 84910-80-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: bis(3-methyl-4-methylthiophenyl)disulfide
• 英文别名: 2-Methyl-4-[(3-methyl-4-methylsulfanylphenyl)disulfanyl]-1-methylsulfanylbenzene
• CAS: 84910-80-5
• 化学式: C₁₆H₁₈S₄
• 分子量: 338.583
• InChiKey: IOBAVPOTSOITAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(3-methyl-4-methylthiophenyl)disulfide 在 盐酸 、 氢氧化钾 、 正丁基锂 、 溴 、 碘 、 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 反应 3.33h， 生成 4-methyl-2,5-bis(methylthio)benzaldehyde
  参考文献：
  名称：

  Sulfur analogs of psychotomimetic agents. 2. Analogs of (2,5-dimethoxy-4-methylphenyl)- and of (2,5-dimethoxy-4-ethylphenyl)isopropylamine

  摘要：

  The two thio analogues of each of the well-known psychotomimetic drugs DOM [(2,5-dimethoxy-4-methylphenyl)isopropylamine] and DOET [(2,5-dimethoxy-4-ethylphenyl)isopropylamine] have been synthesized and pharmacologically evaluated in man. The 5-thio isomers are more potent as psychotomimetic agents than the 2-thio isomers but still represent a drop of an order of magnitude in potency from the sulfur-free counterparts. The dithio analogue of DOM was synthesized and found to be without central activity at a dosage of approximately 50 times the mean effective dose of DOM.

  DOI：

  10.1021/jm00359a021
• 作为产物：
  描述：

  3-甲基-4-甲硫基苯酚 在 sodium hydroxide 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 16.05h， 生成 bis(3-methyl-4-methylthiophenyl)disulfide
  参考文献：
  名称：

  Sulfur analogs of psychotomimetic agents. 2. Analogs of (2,5-dimethoxy-4-methylphenyl)- and of (2,5-dimethoxy-4-ethylphenyl)isopropylamine

  摘要：

  The two thio analogues of each of the well-known psychotomimetic drugs DOM [(2,5-dimethoxy-4-methylphenyl)isopropylamine] and DOET [(2,5-dimethoxy-4-ethylphenyl)isopropylamine] have been synthesized and pharmacologically evaluated in man. The 5-thio isomers are more potent as psychotomimetic agents than the 2-thio isomers but still represent a drop of an order of magnitude in potency from the sulfur-free counterparts. The dithio analogue of DOM was synthesized and found to be without central activity at a dosage of approximately 50 times the mean effective dose of DOM.

  DOI：

  10.1021/jm00359a021

文献信息

• Methanediphosphonate derivative, its manufacturing process and its
  申请人：Toray Industries, Inc.

  公开号：US05527940A1

  公开（公告）日：1996-06-18

  The present invention relates to a methanediphosphonate derivative, its manufacturing process and pharmaceutical applications, that is represented with the following formula: ##STR1## (wherein, B is either hydrogen, an alkyl group, hydroxyl group, alkoxy group or amino group, D is either sulfur, oxygen, NH, alkyl-substituted N, CH.sub.2 or SCH.sub.2, X represents an alkyl group, alkyl group having a hetero atom as a substitution group, an aryl group or an acyl group, m represents an integer of 1 to 5, and R.sup.1, R.sup.2, R.sup.3 and R.sup.4 independently represent hydrogen, alkyl groups having 1 to 7 carbon atoms or pharmaceutically allowable cations). The compound of the present invention has excellent IL-1 inhibitory action, antioxidation action and bone resorption inhibitory action, and is useful as an antiinflammatory agent, antirheumatic, bone metabolic disease drug, autoimmune disease drug, osteoporosis drug and so forth.

  本发明涉及一种甲烷二膦酸酯衍生物，其制造工艺和药用应用，其表示如下式：##STR1##（其中，B为氢、烷基、羟基、烷氧基或氨基，D为硫、氧、NH、烷基取代的N、CH.sub.2或SCH.sub.2，X代表烷基、具有杂原子的烷基取代基、芳基或酰基，m表示1到5的整数，R.sup.1、R.sup.2、R.sup.3和R.sup.4分别代表氢、具有1到7个碳原子的烷基或药学上允许的阳离子）。本发明的化合物具有优异的IL-1抑制作用、抗氧化作用和抑制骨吸收作用，并可用作抗炎药、抗风湿药、骨代谢疾病药、自身免疫疾病药、骨质疏松症药等。
• METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0594857A1

  公开（公告）日：1994-05-04

  A methanediphosphonic acid derivative represented by formulae (I) or (II), a process for producting the same, and a medicinal use thereof, wherein B represents hydrogen, alkyl, hydroxy, alkoxy or amino; D represents sulfur, oxygen, NH, alkyl-substituted nitrogen, CH₂ or SCH₂; X represents alkyl which may be substituted by a heteroatom, aryl or acyl; m represents an integer of 1 to 5; and R¹, R², R³ and R⁴ represent each independently hydrogen, C₁ to C₇, alkyl or a pharmacologically acceptable cation. The compound is excellent in IL-1 inhibition, antioxidant activity and bone resorption inhibition and useful for treating inflammation, rheumatism, bone metabolism disorder, autoimmune disease, osteoporosis, and so forth.

  一种由式(I)或(II)代表的甲烷二膦酸衍生物、制备该衍生物的工艺及其医药用途，其中 B 代表氢、烷基、羟基、烷氧基或氨基；D 代表硫、氧、NH、烷基取代的氮、CH₂或 SCH₂；X 代表可被杂原子、芳基或酰基取代的烷基；m 代表 1 至 5 的整数；以及 R¹、R²、R³ 和 R⁴ 各自独立地代表氢、C₁ 至 C₇、烷基或药理学上可接受的阳离子。该化合物具有优异的抑制 IL-1、抗氧化活性和抑制骨吸收的作用，可用于治疗炎症、风湿病、骨代谢紊乱、自身免疫性疾病、骨质疏松症等。
• JACOB, P. ,, III;SHULGIN, A. T., J. MED. CHEM., 1983, 26, N 5, 746-752
  作者：JACOB, P. ,, III、SHULGIN, A. T.

  DOI：——

  日期：——
• US5527940A
  申请人：——

  公开号：US5527940A

  公开（公告）日：1996-06-18
• US5683992A
  申请人：——

  公开号：US5683992A

  公开（公告）日：1997-11-04