3-thiophenylcoumarin | 115978-62-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-thiophenylcoumarin
• 英文别名: 3-(thiophen-3-yl)coumarin；3-thiophen-3-ylchromen-2-one
• CAS: 115978-62-6
• 化学式: C₁₃H₈O₂S
• 分子量: 228.271
• InChiKey: AYXHEBIDAQCXLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 4.0h， 生成 3-thiophenylcoumarin
  参考文献：
  名称：

  Synthesis, human monoamine oxidase inhibitory activity and molecular docking studies of 3-heteroarylcoumarin derivatives

  摘要：

  Monoamine oxidase (MAO) is an important drug target for the treatment of neurological disorders. Series of 3-indolyl and 3-thiophenylcoumarins were synthesized and evaluated as inhibitors of the two human MAO isoforms, hMAO-A and hMAO-B. In general, the derivatives were found to be selective hMAO-B inhibitors with IC(50) values in the nanoMolar (nM) to microMolar (mu M) range. Docking experiments were carried out in order to compare the theoretical and experimental affinity of these compounds to the hMAO-B protein. According to our results, docking experiments could be an interesting approach to try to predict the activity of this class of coumarins against MAO-B receptors. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.033

文献信息

• Design and discovery of tyrosinase inhibitors based on a coumarin scaffold
  作者：M. J. Matos、C. Varela、S. Vilar、G. Hripcsak、F. Borges、L. Santana、E. Uriarte、A. Fais、A. Di Petrillo、F. Pintus、B. Era

  DOI：10.1039/c5ra14465e

  日期：——

  A novel series of 3-aryl and 3-heteroarylcoumarins displaying tyrosinase inhibitory activity.

  一部包含对酪氨酸酶抑制活性的3-芳基和3-杂环基香豆素的小说系列。
• ADHESIVE COMPOSITION FOR DENTAL USE
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20210145701A1

  公开（公告）日：2021-05-20

  The present invention provides a dental adhesive composition that, even after photocuring with a high-output LED irradiator, shows high bond strength not only for dentin untreated by phosphoric acid etching but also for dentin treated by phosphoric acid etching. The present invention relates to a dental adhesive composition comprising a phosphoric acid group-containing polymerizable monomer (A), the phosphoric acid group-containing polymerizable monomer (A) comprising: a dihydrogen phosphate monoester group-containing polymerizable monomer (A-1) represented by general formula (1); a hydrogen phosphate diester group-containing polymerizable monomer (A-2) represented by general formula (2); and a phosphoric acid tetraester group-containing polymerizable monomer (A-3) represented by general formula (3).

  本发明提供了一种牙科粘接剂组合物，即使经过高输出LED辐射器的光固化，也能显示出高的粘接强度，不仅适用于未经过磷酸蚀刻处理的牙本质，还适用于经过磷酸蚀刻处理的牙本质。本发明涉及一种牙科粘接剂组合物，包括含磷酸基可聚合单体（A），其中磷酸基可聚合单体（A）包括：一种由通式（1）表示的二氢磷酸单酯基可聚合单体（A-1）；一种由通式（2）表示的氢磷酸双酯基可聚合单体（A-2）；以及一种由通式（3）表示的磷酸四酯基可聚合单体（A-3）。
• DENTAL MILL BLANK AND METHOD FOR PRODUCING SAME
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3733114A1

  公开（公告）日：2020-11-04

  The present invention provides a dental mill blank that exhibits desirable resistance against wear in opposing teeth. The present invention relates to a dental mill blank comprising: an inorganic filler containing an inorganic filler (A) and an inorganic filler (B); and a polymer, the inorganic filler (A) partly forming an aggregate, and the dental mill blank satisfying the following formulae (I) to (III), 0.001≤a<0.32 0.3≤b≤10 5≤x≤80 where a is an average primary particle diameter of the inorganic filler (A) in micrometers, b is an average primary particle diameter of the inorganic filler (B) in micrometers, and x is an average particle diameter of the aggregate in micrometers. Preferably, the dental mill blank comprises an island component containing the aggregate, and a sea component containing the inorganic filler (A) and the inorganic filler (B).

  本发明提供了一种牙科铣床坯料，该坯料具有理想的抗对齿磨损性能。本发明涉及一种牙科铣床坯料，包括 无机填料，包含无机填料 (A) 和无机填料 (B)；以及 聚合物、 无机填料（A）部分形成聚集体，牙科研磨坯料满足下式（I）至（III），0.001≤a<0.32 0.3≤b≤10 5≤x≤80 其中，a 是无机填料（A）的平均主颗粒直径（以微米为单位），b 是无机填料（B）的平均主颗粒直径（以微米为单位），x 是聚集体的平均颗粒直径（以微米为单位）。 牙科研磨坯料最好由包含骨料的岛状部分和包含无机填料（A）和无机填料（B）的海状部分组成。
• DENTAL COMPOSITION
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3701930A1

  公开（公告）日：2020-09-02

  The present invention provides a dental composition that exhibits high adhesive property for both dental restoration materials, such as porcelain, and tooth structure. The present invention relates to a one-part dental composition comprising a compound (A) represented by the following general formula (1), a monomer (B) having an acidic group, and water (C),         Y-SiRnX(3-n)     (1), wherein Y represents a monovalent organic group having a polymerizable group, R represents a group selected from the group consisting of an alkyl group, an aryl group, and an aralkyl group, X represents a hydroxyl group or a hydrolyzable group, and n represents an integer of 1 or 2, in which the plurality of R may be the same or different, and the plurality of X may be the same or different, and the content of the water (C) 1.0 to 50 mass%.

  本发明提供了一种牙科组合物，该组合物对烤瓷等牙科修复材料和牙齿结构均具有高粘合性。本发明涉及一种单组分牙科组合物，该组合物由以下通式（1）表示的化合物（A）、具有酸性基团的单体（B）和水（C）组成、 Y-SiRnX(3-n) (1)、 其中，Y 代表具有可聚合基团的一价有机基团，R 代表选自烷基、芳基和芳烷基的基团，X 代表羟基或可水解基团，n 代表 1 或 2 的整数，其中多个 R 可以相同或不同，多个 X 可以相同或不同，水（C）的含量为 1.0 至 50 质量％。
• DENTAL ADHESIVE COMPOSITION
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3900694A1

  公开（公告）日：2021-10-27

  The present invention provides a dental adhesive composition that exhibits high bond strength (initial bond strength and bond durability) to sandblasted zirconia. The present invention relates to a dental adhesive composition comprising a dihydrogen phosphate monoester group-containing polymerizable monomer (A) represented by a general formula (1) and a dihydrogen phosphate monoester group-containing compound (B) represented by a general formula (2). (The definitions of the symbols are omitted.)

  本发明提供了一种牙科粘合剂组合物，该组合物与喷砂氧化锆具有高粘合强度（初始粘合强度和粘合耐久性）。本发明涉及一种牙科粘合剂组合物，该组合物包含由通式（1）表示的含磷酸二氢单酯基团的可聚合单体（A）和由通式（2）表示的含磷酸二氢单酯基团的化合物（B）。 (符号定义省略）。