噻二唑 | 289-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 噻二唑
• 英文名称: 1,3,4-thiadiazole
• 英文别名: 1,3,4-Thiadiazol；[1,3,4]thiadiazole；[1,3,4]Thiadiazol；[1,3,4] thiadiazole；<1,3,4>Thiadiazol；Thia-3,4-diazol
• CAS: 289-06-5
• 化学式: C₂H₂N₂S
• mdl: MFCD01311030
• 分子量: 86.1173
• InChiKey: MBIZXFATKUQOOA-UHFFFAOYSA-N

物化性质

• 熔点：
  42.5°C
• 沸点：
  204°C
• 密度：
  1.299 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  噻二唑 以 gaseous matrix 为溶剂， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Characterization of matrix-isolated antiaromatic three-membered heterocycles. Preparation of the elusive thiirene molecule

  摘要：

  DOI：

  10.1021/ja00393a002
• 作为产物：
  描述：

  potassium dithioformate 在 一水合肼 作用下， 以 水 为溶剂， 生成 噻二唑
  参考文献：
  名称：

  Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1124 - 1129

  摘要：

  DOI：

文献信息

• [EN] OXINDOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE TYPE 2 INHIBITORS<br/>[FR] DERIVES D'OXINDOLE ET LEUR UTILISATION COMME INHIBITEURS DE LA PHOSPHODIESTERASE DE TYPE 2
  申请人：PFIZER PROD INC

  公开号：WO2005041957A1

  公开（公告）日：2005-05-12

  The present invention provides compounds, methods and kits for treatment of disease states or disorders mediated by PDE2. Oxindole derivatives are provided which have therapeutic use and as PDE2 inhibitors.

  本发明提供了用于治疗由PDE2介导的疾病状态或紊乱的化合物、方法和试剂盒。提供了具有治疗用途和作为PDE2抑制剂的氧化吲哚衍生物。
• Additive compound for curing halogenated polymers
  申请人：——

  公开号：US20040176504A1

  公开（公告）日：2004-09-09

  The present invention relates to 1,3,4-thiadiazole reaction products useful as accelerators and/or curing agents for halogenated polymers in rubber vulcanization processes, and to halogenated polymer compositions containing the thiadiazole derivatives, as well as a method of preparing the same. The additive is the reaction product of a 1,3,4-thiadiazole compound and a dithiocarbamic acid or an amine, or an isomer thereof.

  本发明涉及作为橡胶硫化过程中卤代聚合物的促进剂和/或硫化剂有用的1,3,4-噻二唑反应产物，以及含有噻二唑衍生物的卤代聚合物组合物，以及其制备方法。该添加剂是1,3,4-噻二唑化合物和二硫代氨基甲酸盐或胺或其异构体的反应产物。
• A new tricyclic ring and a nitrogen–sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles
  作者：Richard N. Butler、Georgina M. Smyth、Patrick McArdle、Desmond Cunningham

  DOI：10.1039/b208544p

  日期：——

  1,3,4-Thiadiazolium-3-methanide 1,3-dipole 6 and the 2,5-diphenyl and 2,5-dimethyl derivatives, 4 and 5, were generated at −60 °C in dichloromethane. Cycloaddition reactions with substituted alkenes gave many new derivatives of the pyrrolo[2,1-b][1,3,4]thiadiazole ring system. The first examples of a bowl-shaped tricyclic nitrogen-sulfur analogue of the tripentagon bowl, a 3,4,10-triaza-6-thiatricyclo[6,3,0,03,7]undecane ring system were obtained from N-substituted maleimide dipolarophiles. The reactions displayed predominantly endo-stereochemistry but with decreasing size of the substituent at the incipient 7a-fusion bridgehead in the cycloaddition transition state, the extent of exo-cycloaddition increased. The cycloadduct endo ∶ exo ratio was reduced from exclusively endo to ca. 2 ∶ 1 on changing the 1,3-dipole from the 2,5-diphenyl derivative 4 to the unsubstituted case 6. X-Ray crystal structures are reported for 2,7a-diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-endo-6,7-N-methyldicarboxyimide 7a, 2,7a-diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-endo-6,7-N-phenyldicarboxyimide 9e and 2,7a-diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-7-endo-carbonitrile 13.

  1,3,4-Thiadiazolium-3-methanide 1,3-二极 6 以及 2,5-二苯基和 2,5-二甲基衍生物 4 和 5 是在±60°C 的二氯甲烷中生成的。与取代烯烃的环加成反应产生了吡咯并[2,1-b][1,3,4]噻二唑环系统的许多新衍生物。从 N-取代马来酰亚胺二极性化合物中首次获得了碗状三环氮硫类似物--3,4,10-三氮杂-6-硫杂三环[6,3,0,03,7]十一烷环系统。反应主要表现为内-立体化学，但随着环化转变态中初生 7a 融合桥头取代基大小的减小，外-环化程度也随之增加。将 1,3-偶极从 2,5-二苯基衍生物 4 转变为未取代的情况 6 时，环加成产物的内和和（endo）和外和（exo）比率从完全内和（endo）降低到约 2 和 1。报告了 2,7a-二苯基-5,6,7,7a-四氢吡咯并[2,1-b][1,3,4]噻二唑内向-6,7-N-甲基二羧酰亚胺 7a、2,7a-二苯基-5,6,7、7a-四氢吡咯并[2,1-b][1,3,4]噻二唑-内向-6,7-N-苯基二羧酰亚胺 9e 和 2,7a-二苯基-5,6,7,7a-四氢吡咯并[2,1-b][1,3,4]噻二唑-7-内向甲腈 13。
• 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20100144695A1

  公开（公告）日：2010-06-10

  The present invention comprises compounds of Formula (I). wherein: R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises pharmaceutical compositions comprising the compounds of formula (I) and methods of preventing, treating or ameliorating a CCR2 mediated syndrome, disorder or disease, for example, type II diabetes, obesity or asthma, by administering the compounds of formula (I).

  本发明涉及公式(I)的化合物。其中：R1、R2、R3和R4如规范中所定义。本发明还涉及包含公式(I)化合物的药物组合物，并通过给予公式(I)化合物的方法来预防、治疗或改善CCr2介导的综合症、疾病或疾病，例如II型糖尿病、肥胖症或哮喘。
• 2-Propene-1-Ones As Hsp 70 Inducers
  申请人：Kumar Prabhat

  公开号：US20080207608A1

  公开（公告）日：2008-08-28

  The present invention relates to novel compounds of 2-propene-1-one series, of general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, wherein R 5 , R 6 , Q and Y are as defined in the specification. The present invention also relates to a process for preparing such compounds, compositions containing such compounds, and use of such compound and composition in medicine. The compounds of the general formula (I) induce HSP-70 and are useful for the treatment of diseases accompanying pathological stress in a living mammalian organism, including a human being, such as stroke, myocardial infarction, inflammatory disorder, hepatotoxicity, sepsis, diseases of viral origin, allograft rejection, tumourous diseases, gastric mucosal damage, brain haemorrhage, endothelial dysfunctions, diabetic complications, neuro-degenerative diseases, post-traumatic neuronal damage, acute renal failure, glaucoma and aging related skin degeneration.

  本发明涉及2-丙烯酮系列的新化合物，通式为（I），它们的衍生物，类似物，互变异构体，立体异构体，多晶形，药学上可接受的盐，药学上可接受的溶剂和含有它们的药学上可接受的组合物，其中R5，R6，Q和Y如规范中所定义。本发明还涉及制备这种化合物的过程，含有这种化合物的组合物，以及在医学上使用这种化合物和组合物。通式（I）的化合物诱导HSP-70，并用于治疗伴随病理应激的疾病，包括中风，心肌梗死，炎症性疾病，肝毒性，败血症，病毒性疾病，异体移植排斥，肿瘤性疾病，胃黏膜损伤，脑出血，内皮功能障碍，糖尿病并发症，神经退行性疾病，创伤后神经损伤，急性肾衰竭，青光眼和与衰老相关的皮肤退化。