2,3,5-trimethyl-4-hydroxy-benzenethiol | 85460-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 2,3,5-trimethyl-4-hydroxy-benzenethiol
• 英文别名: 2,3,5-trimethyl-4-hydroxybenzenethiol；2,3,6-trimethyl-4-mercaptophenol；4-mercaptotrimethylphenol；3-Hydroxy-6-mercapto-1.2.4-trimethyl-benzol；4-Hydroxy-2.3.5-trimethyl-phenylmercaptan；4-Hydroxy-2.3.5-trimethyl-thiophenol；2,3,6-Trimethyl-4-sulfanylphenol
• CAS: 85460-73-7
• 化学式: C₉H₁₂OS
• mdl: MFCD03425337
• 分子量: 168.26
• InChiKey: YNTNDVQUUYCQRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 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：

  2,3,5-trimethyl-4-hydroxy-benzenethiol 在 硫酸 、 原甲酸三甲酯 sodium hydroxide 、 硫酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 6-Hydroxy-2,5,7,8-tetramethyl-4-oxo-thiochroman-2-carboxylic acid
  参考文献：
  名称：

  Total synthesis of 1-thio-α-tocopherol: A sulfur-containing analogue of vitamin E.

  摘要：

  DOI：

  10.1016/s0040-4039(00)84650-x
• 作为产物：
  描述：

  2,3,6-三甲基苯酚 在 lithium aluminium tetrahydride 、 氯 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 3.0h， 生成 2,3,5-trimethyl-4-hydroxy-benzenethiol
  参考文献：
  名称：

  Synthesis of 2-substituted 5,7,8-trimethyl-6-hydroxythiochromans and purported syntheses of sulfur-containing analogs of vitamin E

  摘要：

  DOI：

  10.1021/jo00360a013

文献信息

• Spiro derivatives as lipoxygenase inhibitors
  申请人：Chu T.W. Daniel

  公开号：US20060128790A1

  公开（公告）日：2006-06-15

  The present invention is concerned with certain novel spiro substituted heterocylic ring derivatives. These compounds may be useful in the manufacture of pharmaceutical compositions for treating disorders mediated by lipoxygenases. They may also be useful in the manufacture of pharmaceutical formulations for the treatment of lipoxygenase-mediated disorders.

  本发明涉及某些新颖的螺环取代杂环环衍生物。这些化合物可能在制造用于治疗通过脂氧合酶介导的疾病的药物组合物方面有用。它们也可能在制造用于治疗脂氧合酶介导的疾病的药物配方方面有用。
• Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof
  申请人：Research Development Foundation

  公开号：US06703384B2

  公开（公告）日：2004-03-09

  The present invention provides an antiproliferative compound having a structural formula where X and Y independently are oxygen, nitrogen o r sulfur; R1 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxylic acid, carboxylate, carboxamide, ester, thioamide, thiolacid, thiolester, saccharide, alkoxy-linked saccharide, amine, sulfonate, sulfate, phosphate, alcohol, ethers or nitriles; R2 and R3 are hydrogen or R4; R4 is methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide or amine; and R5 is alkenyl; where when Y is nitrogen, said nitrogen is substituted with R6, wherein R6 is hydrogen or methyl. Also provided are methods for treating a cell proliferative disease and for inducing apoptosis in a cell comprising administering this compound is also provided.

  本发明提供了一种抗增殖化合物，其具有结构式，其中X和Y独立地是氧、氮或硫；R1是烷基、烯基、炔基、芳基、杂环芳基、羧酸、羧酸盐、羧酰胺、酯、硫代酰胺、硫酸、硫酸酯、糖苷、烷氧基连接的糖苷、胺、磺酸盐、硫酸盐、磷酸盐、醇、醚或腈；R2和R3是氢或R4；R4是甲基、苄基羧酸、苄基羧酸盐、苄基羧酰胺、苄酯、糖苷或胺；R5是烯基；其中当Y为氮时，所述氮被R6取代，其中R6是氢或甲基。还提供了治疗细胞增殖性疾病和诱导细胞凋亡的方法，包括给予该化合物。
• Tocopherols, tocotrienols, other chroman and side chain derivatives and uses therof
  申请人：Research Development Foundation

  公开号：US06417223B1

  公开（公告）日：2002-07-09

  The present invention provides an antiproliferative compound having the structural formula wherein X is oxygen, nitrogen or sulfur; R1 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxylic acid, carboxylate, carboxamide, ester, thioamide, thiolacid, thiolester, saccharide, alkoxy-linked saccharide, amine, sulfonate, sulfate, phosphate, alcohol, ethers and nitriles; R2 is hydrogen, methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; R3 is selected from the group consisting of hydrogen, methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; R4 is of methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; and R5 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxyl, amide and ester. Also provided is a method for inducing apoptosis in a cell comprising administering a composition comprising a compound.

  本发明提供了一种抗增殖化合物，其具有结构式，其中X为氧、氮或硫；R1为烷基、烯基、炔基、芳基、杂环芳基、羧酸、羧酸盐、羧酰胺、酯、硫代酰胺、硫酸、硫酸盐、磷酸、醇、醚和腈；R2为氢、甲基、苄基羧酸、苄基羧酸盐、苄基羧酰胺、苄酯、糖苷和胺；R3选自氢、甲基、苄基羧酸、苄基羧酸盐、苄基羧酰胺、苄酯、糖苷和胺的群体；R4为甲基、苄基羧酸、苄基羧酸盐、苄基羧酰胺、苄酯、糖苷和胺；R5为烷基、烯基、炔基、芳基、杂环芳基、羧基、酰胺和酯。还提供了一种诱导细胞凋亡的方法，包括给予含有该化合物的组合物。
• Autoxidation of biological molecules. 4. Maximizing the antioxidant activity of phenols
  作者：G. W. Burton、T. Doba、E. Gabe、L. Hughes、F. L. Lee、L. Prasad、Keith U. Ingold

  DOI：10.1021/ja00310a049

  日期：1985.11

  On mesure les constantes de vitesse de l'elimination de l'hydrogene atomique par les radicaux peroxyles de l'α-tocopherol et de 35 phenols structuralement apparentes. Les mesures sont faites par la methode de l'autooxydation inhibee du styrene

  在测量 les constantes de vitesse de l'elimination de l'hydrogene atomique par les radicaux peroxyles de l'α-tocopherol et de 35 phenols structureement manifestes。苯乙烯的自氧化抑制方法
• Alpha-substituted carboxylic acid derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030069294A1

  公开（公告）日：2003-04-10

  The &agr;-substituted carboxylic acid derivatives having the formula (I): 1 wherein R 1 is an alkyl group, etc., R 2 is a hydrogen atom, etc., R 3 is a hydrogen atom, etc., A is ═CH-group, etc., B is an oxygen atom, etc., W 1 is a C 1 -C 8 alkylene group, W 2 is a single bond or a C 1 -C 8 alkylene group, X is a hydrogen atom, etc., Y is an oxygen atom, etc., and Z 1 is an alkoxy group, etc., and pharmacologically acceptable salts, esters and amides thereof are useful for treatment and/or prevention of diabetes mellitus, impaired glucose tolerance, gestational diabetes mellitus, or the like. Some of the derivatives of the formula (I) are novel compounds.

  具有如下式(I)的α-取代羧酸衍生物，其中R1是烷基基团，R2是氢原子，R3是氢原子，A是═CH-基团，B是氧原子，W1是C1-C8烷基基团，W2是单键或C1-C8烷基基团，X是氢原子，Y是氧原子，Z1是烷氧基团，其药理学上可接受的盐、酯和酰胺对于治疗和/或预防糖尿病、糖耐量受损、妊娠期糖尿病等疾病是有用的。其中一些具有如上式(I)的衍生物是新化合物。