4-(acetyloxy)-2,6-dimethylbenzoic acid | 1351163-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(acetyloxy)-2,6-dimethylbenzoic acid
• 英文别名: 4-Acetyloxy-2,6-dimethylbenzoic acid
• CAS: 1351163-93-3
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: GIQZBFXPNRTZRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(acetyloxy)-2,6-dimethylbenzoic acid 在 吡啶 、 草酰氯 、 potassium carbonate 、 caesium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 4.0h， 生成 methyl (R)-2-(4-chloro-3-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-2,6-dimethylbenzamido)phenyl)acetate
  参考文献：
  名称：

  Discovery of new orally active prostaglandin D2 receptor antagonists

  摘要：

  To identify an orally available drug candidate, a series of 3-benzoylaminophenylacetic acids were synthesized and evaluated as prostaglandin D-2 (PGD(2)) receptor antagonists. Some of the compounds tested were found to exhibit excellent inhibitory activity against cAMP accumulation in human platelet rich plasma (hPRP), which is one of the indexes of DP antagonism. The optimization process including improvement of the physicochemical properties such as solubility, which may result in an improved pharmacokinetic (PK) profile, is presented. Optimized compounds were studied for their pharmacokinetics and in vivo potential. A structure-activity relationship study is also presented. Some of the test compounds were found to have in vivo efficacy towards the inhibition of PGD(2)-induced and OVA-induced vascular permeability in guinea pig conjunctiva. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.065
• 作为产物：
  描述：

  4-羟基-2,6-二甲基苯甲酸 在 吡啶 、 乙酸酐 作用下， 生成 4-(acetyloxy)-2,6-dimethylbenzoic acid
  参考文献：
  名称：

  EP2 ANTAGONIST

  摘要：

  提供了一种药物，其包含作为活性成分的化合物，该化合物具有对EP2受体的拮抗活性，用于预防和/或治疗与EP2受体激活相关的疾病。通式（I-A）所表示的化合物（其中所有符号具有规范中描述的相同含义）或其药学上可接受的盐可用作具有强效EP2受体拮抗活性的药物成分，用于预防和/或治疗与EP2受体激活相关的疾病。

  公开号：

  EP3992176A1

文献信息

• DP ANTAGONIST
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：EP3854781A1

  公开（公告）日：2021-07-28

  An object of the present invention is to provide a DP receptor antagonist. A compound represented by general formula (I): (wherein all symbols are as shown in the specification) and a pharmaceutically acceptable salt thereof have DP receptor antagonistic activity and are also highly safe, and thus are useful as active ingredients of pharmaceuticals for DP receptor-mediated diseases. In addition, the compound represented by the general formula (I) and the pharmaceutically acceptable salt thereof also have good transferability to the central nervous system, and thus are particularly useful as a preventive and/or therapeutic agent for diseases associated with DP receptors present in the central nervous system among DP receptor-mediated diseases, that is, sleep-wake disorders.

  本发明的目的是提供一种 DP 受体拮抗剂。一种由通式（I）代表的化合物： (其中所有符号如说明书所示）代表的化合物及其药学上可接受的盐具有 DP 受体拮抗活性，而且安全性高，因此可用作治疗 DP 受体介导的疾病的药物的活性成分。此外，通式（I）代表的化合物及其药学上可接受的盐对中枢神经系统也具有良好的转移性，因此特别适用于预防和/或治疗 DP 受体介导的疾病（即睡眠-觉醒障碍）中与存在于中枢神经系统中的 DP 受体相关的疾病。
• DP antagonist
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US11319296B2

  公开（公告）日：2022-05-03

  An object of the present invention is to provide a DP receptor antagonist. A compound represented by general formula (I): (wherein all symbols are as shown in the specification) and a pharmaceutically acceptable salt thereof have DP receptor antagonistic activity and are also highly safe, and thus are useful as active ingredients of pharmaceuticals for DP receptor-mediated diseases. In addition, the compound represented by the general formula (I) and the pharmaceutically acceptable salt thereof also have good transferability to the central nervous system, and thus are particularly useful as a preventive and/or therapeutic agent for diseases associated with DP receptors present in the central nervous system among DP receptor-mediated diseases, that is, sleep-wake disorders.

  本发明的目的是提供一种 DP 受体拮抗剂。一种由通式（I）代表的化合物： (其中所有符号如说明书所示）及其药学上可接受的盐具有 DP 受体拮抗活性，而且安全性高，因此可用作治疗 DP 受体介导的疾病的药物活性成分。此外，通式（I）代表的化合物及其药学上可接受的盐对中枢神经系统也具有良好的转移性，因此特别适用于预防和/或治疗 DP 受体介导的疾病（即睡眠-觉醒障碍）中与存在于中枢神经系统中的 DP 受体相关的疾病。
• METHOD FOR PRODUCING LIQUID-CRYSTAL POLYESTER PROCESSED PRODUCT
  申请人：HONSHU CHEMICAL INDUSTRY CO., LTD.

  公开号：US20220204853A1

  公开（公告）日：2022-06-30

  An object is to provide a method for producing a liquid-crystal polyester processed product, the method improving the adhesion of a liquid-crystal polyester resin, which is a poorly adhesive resin. As a solution, a method for producing a liquid-crystal polyester processed product, including a step (I) of performing an oxidation treatment on a surface of a liquid-crystal polyester resin formed body including a repeating unit represented by general formula (1), is provided.
• US4574066A
  申请人：——

  公开号：US4574066A

  公开（公告）日：1986-03-04
• US9956260B1
  申请人：——

  公开号：US9956260B1

  公开（公告）日：2018-05-01