4-(((5-methyl-1,3,4,-thiadiazol-2-yl)thio)methyl)benzoic acid

• 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: 4-(((5-methyl-1,3,4,-thiadiazol-2-yl)thio)methyl)benzoic acid
• 英文别名: 4-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzoic acid；4-{[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl}benzoic acid；4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid
• 化学式: C₁₁H₁₀N₂O₂S₂
• mdl: MFCD01829611
• 分子量: 266.345
• InChiKey: GZXGETYLQOEMGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对溴甲基苯甲酸 、 2-巯基-5-甲基-1,3,4-噻二唑 在 sodium hydroxide 作用下， 以 ice-water 、 乙醇 、 水 为溶剂， 生成 4-(((5-methyl-1,3,4,-thiadiazol-2-yl)thio)methyl)benzoic acid
  参考文献：
  名称：

  Hypoglycemic 4-(((1,3,4, thiadiazolyl)thio)methyl)benzoic acids, ester

  摘要：

  4-(((杂环)硫)甲基)苯甲酸，酯，酰胺及其药用可接受盐，具有哺乳动物的降血糖活性，包括使用方法和药用可接受组合物。

  公开号：

  US04325959A1

文献信息

• Process for the preparation of cephalosporin derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0072608A2

  公开（公告）日：1983-02-23

  The invention relates to a process for the manufacture of a cephalosporin derivative of the formula I:- in which X is a sulphur or oxygen atom or a sulphinyl radical, R' is any one of the C-3 substituents from antibacterially- active cephalosporins known in the art, R2 is a hydrogen atom or a 1-6C alkyl or 2-6C alkenyl radical, R3 is a hydrogen atom or one of a variety of radicals defined in the specification, and the pharmaceutically-acceptable acid- and base- addition salts thereof, characterised by reaction of a compound of the formula IX:- in which R16 and R17 individually have one of the values given above for R2 and R3, or a derivative thereof in which the carbonyl group is masked, with a compound of the formula X:- in which R18 is a hydrogen atom or any one of the cephalosporin 3-carboxylic acid protecting groups known in the art; whereafter, when R18 is other than a hydrogen atom, the protecting group R18 is replaced by hydrogen by conventional means.

  本发明涉及一种式 I 的头孢菌素衍生物的制造工艺 其中 X 是硫或氧原子或亚磺酰基，R'是本领域已知的具有抗菌活性的头孢菌素的 C-3 取代基中的任一个，R2 是氢原子或 1-6C 烷基或 2-6C 烯基，R3 是氢原子或说明书中定义的各种基之一，以及其药学上可接受的酸和碱加成盐，其特征在于与式 IX 的化合物反应： - 其中 R16 和 R17 各自具有上述 R2 和 R3 的数值之一，或与式 IX 的化合物反应： - 其中 R16 和 R17 各自具有上述 R2 和 R3 的数值之一，或与式 IX 的化合物反应： - 其中 R16 和 R17 各自具有上述 R2 和 R3 的数值之一，或与式 IX 的化合物反应： - 其中 R16 和 R17 各自具有上述 R2 和 R3 的数值之一。 式中 R16 和 R17 分别具有上述 R2 和 R3 的值之一，或其衍生物（其中羰基被遮蔽）与式 X:- 的化合物反应。 其中 R18 为氢原子或本领域已知的任何一种头孢菌素 3-羧酸保护基团；此后，当 R18 不是氢原子时，保护基团 R18 通过常规方法被氢取代。
• MATTHEWS, D. P.
  作者：MATTHEWS, D. P.

  DOI：——

  日期：——
• METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS
  申请人：Srivastava Rakesh K.

  公开号：US20080214547A1

  公开（公告）日：2008-09-04

  This invention describes a series of methods and compositions for prevention and treatment of diseases such as cancer. One aspect of the invention describes small molecule-based drugs that can be used to bind to death receptors TRAIL-R1/DR4 and/or TRAIL-R2/DR5 and induce apoptosis in cancer cells, while sparing normal cells. The invention also describes TRAIL Death Receptor Agonists/Activators (DRAs) and their uses, such as the induction of apoptosis through caspase-8 and caspase-3 activation. The present invention also describes the methods of treating cancers, such as breast, prostate, colon, pancreatic, ovarian, lung, and brain cancers, leukemia, lymphoma, multiple myeloma, and mesothelioma, using DRAs either as single-agent treatments, or in combination with other therapies.
• APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR
  申请人：Thomas Merlin C.

  公开号：US20140105898A1

  公开（公告）日：2014-04-17

  This invention relates generally to methods and agents for modulating adiposity-related conditions. More particularly, the present invention relates to the use of TRAIL death receptor agonists, including nucleic acids such as TRAIL polynucleotides, peptides and polypeptides including TRAIL polypeptides, TRAIL DR agonist antigen-binding molecules, TRAIL DR peptide agonists as well as small molecule TRAIL DR agonists in compositions and methods for treating or preventing adiposity-related conditions such as obesity, diabetes mellitus and metabolic syndrome.
• US4325959A
  申请人：——

  公开号：US4325959A

  公开（公告）日：1982-04-20