2,4-dimethyl-3,6-dimethoxybenzaldehyde | 31404-86-1

• 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: 2,4-dimethyl-3,6-dimethoxybenzaldehyde
• 英文别名: 3,6-Dimethoxy-2,4-dimethyl-benzaldehyd；3,6-dimethoxy-2,4-dimethylbenzaldehyde
• CAS: 31404-86-1
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: NRXKWKQZYGGDGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-dimethyl-3,6-dimethoxybenzaldehyde 在 sodium methylate 、 sodium hydride 、 间氯过氧苯甲酸 作用下， 反应 4.25h， 生成 3,5-dimethyl-1,2,4-trimethoxybenzene
  参考文献：
  名称：

  Structure−Activity Relationships of (E)-3-(1,4-Benzoquinonyl)-2-[(3-pyridyl)- alkyl]-2-propenoic Acid Derivatives That Inhibit Both 5-Lipoxygenase and Thromboxane A₂ Synthetase

  摘要：

  As part of our research for the development of novel antiinflammatory drug candidates, we have designed and synthesized a series of (E)-3-(1,4-benzoquinonyl)-2-[(3-pyridyl)alkyl]-2-propenoic acid derivatives as dual inhibitors of 5-lipoxygenase (5-LO) and thromboxane (TX) A(2) synthetase. In order to increase the absorption after oral administration, we introduced a carboxylic acid moiety into the 1,4-benzoquinone skeleton, which has 5-LO-inhibitory character. Introduction of a 3-pyridylalkyl group at the double bond of the 1,4-benzoquinonyl propenoic acid moiety afforded good to moderate inhibitory activities against the production of leukotriene (LT) Bq and TXA(2) while not significantly inhibiting that of prostaglandin E(2) by glycogen-induced peritoneal cells of rat (in vitro). The length of the methylene chain of the 3-pyridylalkyl group influenced the inhibition of LTB(4) and TXB(2) production. An increase of lipophilicity by introducing a more lipophilic alkoxy group did not markedly increase the inhibitory activity on LTB(4) production. The position of an alkoxy group on the 1,4-benzoquinone skeleton played an important role in TXA(2) synthetase inhibition. Compounds such as 20c (E6700) with an appropriate alkoxy group and proper length of methylene side chain, together with a polar substituent (carboxylic acid), showed good inhibition of both 5-LO and TXA(2) synthetase and possess a variety of pharmacologically beneficial effects.

  DOI：

  10.1021/jm950725r

文献信息

• Pyridyl substituted benzothiazole compounds which have useful
  申请人：Eisai Co., Ltd.

  公开号：US05300518A1

  公开（公告）日：1994-04-05

  A benzothiazole derivative or a pharmacologically acceptable salt thereof which is useful as a preventive or therapeutic agent for diseases on which functions of suppressing leukotrienes and thromboxanes production are effective. A benzothiazole derivative represented by the following general formula (I): ##STR1## wherein R.sup.1 and R.sup.3 are either the same or different and represents a hydrogen atom, a lower alkyl group or a lower alkoxy group; R.sup.4 represents a group represented by the formula --(CH.sub.x)--.sub.q wherein q is a integer of from 1 to 4; R.sup.2 represents a hydrogen atom and; R.sup.5 and R.sup.6 are the same or different and each represent a hydrogen atom or a lower alkyl group; or a pharmacologically acceptable salt thereof.

  一种苯并噻唑衍生物或其药学上可接受的盐，可用作预防或治疗抑制白三烯和血栓素产生功能有效的疾病的药物。一种由以下通式（I）表示的苯并噻唑衍生物：##STR1## 其中R.sup.1和R.sup.3相同或不同，表示氢原子，低级烷基或低级烷氧基; R.sup.4表示由式--(CH.sub.x)--.sub.q表示的基团，其中q为1至4的整数; R.sup.2表示氢原子; R.sup.5和R.sup.6相同或不同，每个表示氢原子或低级烷基; 或其药学上可接受的盐。
• Novel enzymatic substrates derived from phenoxazinone and their use as developer in detection of microorganisms with peptidase activity
  申请人：Anderson Rosaleen Joy

  公开号：US20100028926A1

  公开（公告）日：2010-02-04

  Novel enzymatic substrates of the general formula below: reaction media containing the same, and their use for detecting, identifying, and/or quantifying microorganisms expressing at least one peptidase activity.

  新型酶底物的通式如下：包含相同成分的反应介质，并用于检测、鉴定和/或定量表达至少一种肽酶活性的微生物。
• Novel Enzymatic Substrates Derived from Phenoxazinone and Their Use as Developer in Detection of Microorganisms with Peptidase Activity
  申请人：James Arthur

  公开号：US20080293094A1

  公开（公告）日：2008-11-27

  The invention concerns novel enzymatic substrates of the general formula below: wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , A and X are as defined in claim 1 , reaction media containing same and their use for detecting and/or identifying and/or quantifying microorganisms expressing at least one peptidase activity.

  本发明涉及一种新型的酶底物，其通式如下：其中：R1、R2、R3、R4、R5、R6、A和X的定义如权利要求书中所定义，含有该酶底物的反应介质以及它们用于检测和/或鉴定和/或定量表达至少一种肽酶活性的微生物。
• Benzothiazole derivative
  申请人：Eisai Co., Ltd.

  公开号：EP0507318B1

  公开（公告）日：1997-09-10
• NOUVEAUX SUBSTRATS ENZYMATIQUES DÉRIVÉS DE PHÉNOXAZINONE ET LEUR UTILISATION COMME RÉVÉLATEUR DANS LA DÉTECTION DE MICROORGANISME À ACTIVITÉ PEPTIDASE
  申请人：BIOMERIEUX

  公开号：EP1786828B1

  公开（公告）日：2012-01-11