4-(4-methylsulfonylphenoxy)benzaldehyde | 557087-62-4

• 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-(4-methylsulfonylphenoxy)benzaldehyde
• CAS: 557087-62-4
• 化学式: C₁₄H₁₂O₄S
• 分子量: 276.313
• InChiKey: UXNQFMJHLMHKAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-methylsulfonylphenoxy)benzaldehyde 、 ethyl 2-(diethoxyphosphoryl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate 在 sodium hydride 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 水 、 乙酸乙酯 为溶剂， 反应 4.33h， 生成
  参考文献：
  名称：

  EP1466899

  摘要：

  公开号：

文献信息

• Identification and characterization of potent, selective and metabolically stable IKKβ inhibitor
  作者：Doyeon Kim、Yun Gyeong Kim、Jae Hong Seo、Kye Jung Shin

  DOI：10.1016/j.bmcl.2016.01.065

  日期：2016.2

  We have previously reported the identification of a rhodanine compound (1) with well-balanced inhibitory activity against IKKβ and collagen-induced TNFα activated cells. However, we need more optimized compounds because of its instability over plasma and microsome. As part of a program directed toward the optimization of IKKβ inhibitor, we modified a substituent of parent compound to a series of functional

  我们以前曾报道过鉴定出具有对IKKβ和胶原蛋白诱导的TNFα活化细胞具有良好平衡的抑制活性的若丹宁化合物（1）。但是，由于其相对于血浆和微粒体的不稳定性，我们需要更多优化的化合物。作为针对IKKβ抑制剂优化的程序的一部分，我们将母体化合物的取代基修饰为一系列官能团。在取代的化合物中，苯环对位的氟取代基（12）恢复了对血浆和微粒体的稳定性，同时保持了对IKKβ的抑制力和对其他激酶的选择性。此外，我们已经证明化合物12 是一种非竞争性ATP抑制剂，安全性足以从急性毒性试验应用于动物实验。
• NOVEL POLYESTER-BASED POLYMER HAVING SUPERIOR TRANSPARENCY AND HIGH HEAT RESISTANCE AND PREPARATION OF THE SAME
  申请人：INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY

  公开号：US20150376329A1

  公开（公告）日：2015-12-31

  Provided is a novel aromatic polyester-based polymer. The aromatic polyester-based polymer includes the repeating unit represented by the following Chemical Formula I and contains at least one aromatic diol monomer. The aromatic polyester-based polymer has a high glass transition temperature and excellent heat resistance, mechanical properties and transparency, as well as shows excellent formability and processability into films or the like, and thus solves the problems occurring in the conventional crystalline or amorphous engineering plastic materials. In addition, the aromatic polyester-based polymer may be applied to next-generation engineering plastic composite materials, such as matrix resins of composite materials for cars and airplanes. The aromatic polyester-based polymer may also he applied to flexible substrates for next-generation flexible displays, solar cells or electronic paper requiring transparency and high heal resistance at the same time.

  提供的是一种新型芳香族聚酯基聚合物。该芳香族聚酯基聚合物包括以下化学式I所表示的重复单元，并含有至少一个芳香族二元醇单体。该芳香族聚酯基聚合物具有高玻璃化转变温度和优异的耐热性、机械性能和透明度，同时还具有出色的成膜性和加工性，从而解决了传统结晶或非晶工程塑料材料中出现的问题。此外，该芳香族聚酯基聚合物可应用于下一代工程塑料复合材料，如汽车和飞机复合材料的基体树脂。该芳香族聚酯基聚合物还可应用于下一代柔性显示器、太阳能电池或电子纸等柔性基板，需要同时具有透明度和高耐热性。
• HYDROXAMIC ACID DERIVATIVE AND MMP INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1466899A1

  公开（公告）日：2004-10-13

  A hydroxamic acid derivative represented by the following general formula (1) having selective MMP inhibitory activity, , wherein R1 andR2 each represents hydrogen atom, lower alkyl group, lower haloalkyl etc., X represents methylene group or NR3 (R3 represents hydrogen atom, lower alkyl group, etc.), and R4 represents C1∼4 lower alkyl group.

  由以下通式(1)代表的具有选择性 MMP 抑制活性的羟肟酸衍生物、 其中 R1 和 R2 分别代表氢原子、低级烷基、低级卤代烷基等，X 代表亚甲基或 NR3（R3 代表氢原子、低级烷基等），R4 代表 C1∼4 低级烷基。
• Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient
  申请人：Horiuchi Yoshihiro

  公开号：US20050282905A1

  公开（公告）日：2005-12-22

  A hydroxamic acid derivative represented by the following general formula (1) having selective MMP inhibitory activity, ,wherein R 1 and R 2 each represents hydrogen atom, lower alkyl group, lower haloalkyl etc., X represents methylene group or NR 3 (R 3 represents hydrogen atom, lower alkyl group, etc.), and R 4 represents C1˜4 lower alkyl group.

  由以下通式（1）代表的具有选择性 MMP 抑制活性的羟肟酸衍生物、 其中 R 1 和 R 2 分别代表氢原子、低级烷基、低级卤代烷基等，X 代表亚甲基或 NR 3 (R 3 代表氢原子、低级烷基等），以及 R 4 代表 C1˜4 低级烷基。
• Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: A highly potent orally available CCR5 selective antagonist
  作者：Rena Nishizawa、Toshihiko Nishiyama、Katsuya Hisaichi、Chiaki Minamoto、Masayuki Murota、Yoshikazu Takaoka、Hisao Nakai、Hideaki Tada、Kenji Sagawa、Shiro Shibayama、Daikichi Fukushima、Kenji Maeda、Hiroaki Mitsuya

  DOI：10.1016/j.bmc.2011.05.022

  日期：2011.7

  Based on the original spirodiketopiperazine design framework, further optimization of an orally available CCR5 antagonist was undertaken. Structural hybridization of the hydroxylated analog 4 derived from one of the oxidative metabolites and the new orally available non-hydroxylated benzoic acid analog 5 resulted in another potent orally available CCR5 antagonist 6a as a clinical candidate. Full details of a structure-activity relationship (SAR) study and ADME properties are presented. (C) 2011 Elsevier Ltd. All rights reserved.