1-acetyl-3-pyridin-2-yl-thiourea | 66934-13-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-acetyl-3-pyridin-2-yl-thiourea
• 英文别名: N-(pyridin-2-ylcarbamothioyl)acetamide
• CAS: 66934-13-2
• 化学式: C₈H₉N₃OS
• mdl: MFCD08109982
• 分子量: 195.245
• InChiKey: YSZDTURRQZJPRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  86.1
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Acid tolerant dental composition
  申请人：Kerr Corporation

  公开号：EP1693046A1

  公开（公告）日：2006-08-23

  A dental composition compatible with acidic dental primers/adhesives, the dental composition comprising (A) 5% (w/w) to 90% (w/w) of at least one polymerizable monomer having at least one ethylenically unsaturated vinyl, acrylate, or methacrylate group; (B) 0.01% (w/w) to 10% (w/w) of at least one compound of structure where each of R1, R2, and R3 may be the same or different and is independently selected from H, alkyl, alkoxyl, aryl, acyl, allyl, pyridyl, -OH, alkenyl, aralkyl, cycloalkyl, and heterocyclic structure containing O, S, or N; (C) 0.01% (w/w) to 10% (w/w) of at least one hydroperoxide compound with at least one hydroperoxide groups attached to a tertiary carbon; (D) 5% (w/w) to 95% (w/w) of at least one finely divided filler; (E) 0% (w/w) to 25% (w/w) of one or more components selected from a solvent, a photoinitiator, a stabilizer, and/or an antimicrobial agent.

  一种与酸性牙科底漆/粘合剂相容的牙科组合物，该牙科组合物包含 (A) 5%（重量比）至 90%（重量比）的至少一种可聚合单体，该单体具有至少一个乙烯基不饱和乙烯基、丙烯酸酯或甲基丙烯酸酯基团；(B) 0.01%（重量比）至 10%（重量比）的至少一种结构化合物 其中 R1、R2 和 R3 各可相同或不同，且独立选自 H、烷基、烷氧基、芳基、酰基、烯丙基、吡啶基、-OH、烯基、芳烷基、环烷基和含 O、S 或 N 的杂环结构； (C) 0.01% (w/w) 至 10% (w/w) 的至少一种过氧化氢化合物，其中至少有一个过氧化氢基团连接到叔碳上；(D) 5% (w/w) 至 95% (w/w) 的至少一种细粒填料；(E) 0% (w/w) 至 25% (w/w) 的一种或多种选自溶剂、光引发剂、稳定剂和/或抗菌剂的成分。
• Dental composition having a redox indicator and method of using same
  申请人：Kerr Corporation

  公开号：EP2450026A2

  公开（公告）日：2012-05-09

  A self-cure or dual-cure polymerizable dental composition is provided with a redox indicator. The composition exhibits an initial first color upon mixing of the two parts and then changes to a second color that is noticeably different from the first color during the curing or polymerization of the composition initiated through the redox initiator system. Advantageously, the first color may be distinctively different from tooth structure and can be easily noticed. The second color may be essentially colorless, a neutral color, or a non-visually observable color in reference to the tooth structure.

  一种自固化或双固化可聚合牙科组合物带有氧化还原指示剂。该组合物在两部分混合后呈现出初始的第一种颜色，然后在通过氧化还原引发剂系统启动的组合物固化或聚合过程中转变为与第一种颜色明显不同的第二种颜色。有利的是，第一种颜色可能与牙齿结构明显不同，很容易察觉。第二种颜色可以是基本无色、中性色，或者是相对于牙齿结构而言无法用肉眼观察到的颜色。
• Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor
  申请人：Kerr Corporation

  公开号：EP2450027A2

  公开（公告）日：2012-05-09

  A self-cure, dual-cure or tri-cure polymerizable dental composition is provided with at least one functional chemical. The dental composition is divided into a three-part composition to avoid stability issues caused by degradation and/or loss of function of one component in the extended presence of another component, and the three parts are packaged in a tri-barrel syringe or cartridge delivery system to avoid premature chemical interaction between the functional chemical, redox initiator and/or acid/base.

  一种自固化、双固化或三固化可聚合牙科组合物含有至少一种功能化学品。牙科组合物分为三部分，以避免一种成分在另一种成分长期存在的情况下发生降解和/或功能丧失而引起的稳定性问题，三部分组合物包装在三筒注射器或筒式输送系统中，以避免功能化学品、氧化还原引发剂和/或酸/碱之间过早发生化学作用。
• ACID-TOLERANT DENTAL COMPOSITION
  申请人：Qian Xuejun

  公开号：US20060189728A1

  公开（公告）日：2006-08-24

  A dental composition compatible with acidic dental primers/adhesives, the dental composition comprising (A) 5% (w/w) to 90% (w/w) of at least one polymerizable monomer having at least one ethylenically unsaturated vinyl, acrylate, or methacrylate group; (B) 0.01% (w/w) to 10% (w/w) of at least one compound of structure where each of R1, R2, and R3 may be the same or different and is independently selected from H, alkyl, alkoxyl, aryl, acyl, allyl, pyridyl, —OH, alkenyl, aralkyl, cycloalkyl, and heterocyclic structure containing O, S, or N; (C) 0.01% (w/w) to 10% (w/w) of at least one hydroperoxide compound with at least one hydroperoxide groups attached to a tertiary carbon; (D) 5% (w/w) to 95% (w/w) of at least one finely divided filler; (E) 0% (w/w) to 25% (w/w) of one or more components selected from a solvent, a photoinitiator, a stabilizer, and/or an antimicrobial agent. One embodiment of the invention is a dental cementation or core buildup kit that has enhanced compatibility between the acidic primer/adhesive and the cement or core buildup material, and therefore enhanced adhesion to a tooth. The kit includes (I) an acidic primer/adhesive composition having a pH less than 4.5; and (II) a cement or core buildup material having the above described composition comprising components (A)-(E). Another embodiment of the invention is a method for adhering a prosthetic device to a tooth to restore the function and/or appearance of a diseased tooth. Another embodiment of the invention is a method of providing a temporary cement, crown and/or bridge, inlay, onlay, endodontic sealer, and/or an endodontic filling material, using the inventive composition.

  一种与酸性牙科底漆/粘合剂相容的牙科组合物，该牙科组合物包括 (A) 5%（重量比）至 90%（重量比）的至少一种具有至少一个乙烯基不饱和乙烯基、丙烯酸酯或甲基丙烯酸酯基团的可聚合单体； (B) 0.01%（重量比）至 10%（重量比）的至少一种结构式化合物 其中 R1、R2 和 R3 各可相同或不同，且独立选自 H、烷基、烷氧基、芳基、酰基、烯丙基、吡啶基、-OH、烯基、芳烷基、环烷基和含 O、S 或 N 的杂环结构； (C) 0.01%（重量比）至 10%（重量比）的至少一种过氧化氢化合物，其中至少有一个过氧化氢基团连接到一个叔碳上；（D）5%（重量比）至 95%（重量比）的至少一种细粒填料；（E）0%（重量比）至 25%（重量比）的一种或多种成分，这些成分选自溶剂、光引发剂、稳定剂和/或抗菌剂。本发明的一个实施方案是一种牙科粘结剂或牙芯增强剂试剂盒，该试剂盒增强了酸性底漆/粘合剂与粘结剂或牙芯增强材料之间的相容性，从而增强了与牙齿的粘附性。该套件包括：（I）pH 值小于 4.5 的酸性底漆/粘合剂组合物；以及（II）具有上述由成分（A）-（E）组成的组合物的牙科粘接剂或牙核增生材料。本发明的另一个实施方案是一种将修复装置粘附到牙齿上以恢复病牙的功能和/或外观的方法。本发明的另一个实施方案是一种使用本发明组合物提供临时粘结剂、牙冠和/或牙桥、嵌体、镶嵌体、牙髓密封剂和/或牙髓填充材料的方法。
• DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND A TRI-BARREL PACKAGING AND DELIVERY SYSTEM THEREFOR
  申请人：Qian Xuejun

  公开号：US20120115106A1

  公开（公告）日：2012-05-10

  A self-cure, dual-cure or tri-cure polymerizable dental composition is provided with at least one functional chemical. The dental composition is divided into a three-part composition to avoid stability issues caused by degradation and/or loss of function of one component in the extended presence of another component, and the three parts are packaged in a tri-barrel syringe or cartridge delivery system to avoid premature chemical interaction between the functional chemical, redox initiator and/or acid/base.