3-乙酰基邻苯二甲酸 | 93940-26-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-乙酰基邻苯二甲酸
• 英文名称: Acetylphthalic acid
• 英文别名: 3-acetylphthalic acid
• CAS: 93940-26-2
• 化学式: C₁₀H₈O₅
• 分子量: 208.17
• InChiKey: QFNYIIZQJHOGII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：EP3696170A1

  公开（公告）日：2020-08-19

  The present invention relates to a compound of formula (I), or one of its pharmaceutically acceptable salts: wherein R1, R2 and -X-Y- have specific definitions. It also relates to the use of such a compound as reactivator of acetylcholinesterase for treating organophosphorous nerve agents poisoning; and to a process for preparing it.

  本发明涉及一种具有以下结构式（I）的化合物，或其药学上可接受的盐之一：其中R1、R2和-X-Y-具有特定定义。它还涉及将这种化合物用作乙酰胆碱酯酶再活化剂以治疗有机磷神经毒剂中毒的用途；以及制备该化合物的方法。
• 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：EP3473618A1

  公开（公告）日：2019-04-24

  The present invention relates to a compound of formula (I), as well as to a process for preparing the compounds of formula (I) by a chemoselective Sonogashira reaction. It also relates to a pharmaceutical composition comprising at least one compound of formula (I) and at least one pharmaceutically acceptable support. Finally, it relates to the use of such a compound as a medicine, preferably in the treatment of a nervous and/or respiratory failure due to intoxication with at least one organophosphorous nerve agent; in the treatment of neurological diseases such as Alzheimer's disease; and/or in the treatment of cancer; and/or for use as antiviral drug.

  本发明涉及一种化合物的公式(I)，以及通过化学选择性Sonogashira反应制备该化合物的方法。还涉及一种包含至少一种公式(I)化合物和至少一种药学上可接受的辅助物质的药物组合物。最后，涉及将这种化合物用作药物，优选用于治疗由至少一种有机磷神经毒剂中毒引起的神经和/或呼吸衰竭；治疗神经系统疾病，如阿尔茨海默病；和/或治疗癌症；和/或用作抗病毒药物。
• PYRIDINE-THIAZOLE-OXIME AND PYRIDINE-OXAZOLE-OXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA
  申请人：Centre National de la Recherche Scientifique

  公开号：EP3915983A1

  公开（公告）日：2021-12-01

  The present invention relates to a compound of formula (I): wherein X is O or S; Y is -CH2-CH2-, -C=C- or -CH=CH-; Z is -CH2-; n is an integer from 0 to 4; and R is an alkyl group, an aryl, a heteroaryl, a cycloalkyl, a heterocyclyl, a biomolecule, a fluorescent probe, or a group -N(R1 )(R2); wherein R1 and R2 are each independently H, an alkyl group, an aryl, a heteroaryl or a cycloalkyl. It also relates to a pharmaceutical composition comprising at least one compound of formula (I) and at least one pharmaceutically acceptable support. Finally, it relates to the use of such a compound as a medicine, preferably in the treatment of a nervous and/or respiratory failure due to intoxication with at least one organo-phosphorous nerve agent (OPNA); in the treatment of neurological diseases such as Alzheimer's disease; and/or in the treatment of cancer. The compounds act as reactivators of OPNA-inhibited hAChE (human acetylcholinesterase). The present description discloses the syntheses of exemplary compounds as well as experimental data on the in vitro reactivation of human acetylcholinesterase (hAChE) by the compounds of the invention (e.g. pages 28 to 56; examples 1 and 2; compounds; tables 1 to 3). Exemplary compounds are e.g.: or

  本发明涉及一种具有如下式（I）的化合物：其中X为O或S；Y为-CH2-CH2-，-C=C-或-CH=CH-；Z为-CH2-；n为0至4之间的整数；R为烷基，芳基，杂芳基，环烷基，杂环烷基，生物分子，荧光探针或-N（R1）（R2）基团；其中R1和R2分别独立地为H，烷基，芳基，杂芳基或环烷基。还涉及包含至少一种如上式（I）化合物和至少一种药学上可接受的载体的药物组合物。最后，涉及将这种化合物用作药物，优选用于治疗由至少一种有机磷神经毒剂（OPNA）中毒引起的神经和/或呼吸衰竭；治疗像阿尔茨海默病这样的神经疾病；和/或治疗癌症。这些化合物作为OPNA抑制的hAChE（人乙酰胆碱酯酶）的再激活剂。本说明披露了示例化合物的合成以及通过体外实验数据来展示本发明化合物对人乙酰胆碱酯酶（hAChE）的再激活（例如，第28至56页；示例1和2；化合物；表1至3）。示例化合物包括：【这里可能包含一些化合物的图示或名称】
• [EN] THIOPHENOXIME AND FURANOXIME SCAFFOLDS<br/>[FR] ÉCHAFAUDAGES DE THIOPHÈNEOXIME ET DE FURANOXIME
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2022053628A1

  公开（公告）日：2022-03-17

  The present invention relates to a compound of formula (I). It also relates to a pharmaceutical composition comprising at least one compound of formula (I) and at least one pharmaceutically acceptable support. Finally, it relates to the use of such a compound as a medicine, preferably in the treatment of a nervous and/or respiratory failure due to intoxication with at least one organophosphorous nerve agent; in the treatment of neurological diseases such as Alzheimer's disease; and/or in the treatment of cancer.

  本发明涉及一种化合物，其化学式为（I）。它还涉及一种药物组合物，包括至少一种化学式为（I）的化合物和至少一种药学上可接受的载体。最后，它涉及将这种化合物用作药物的用途，优选用于治疗由至少一种有机磷神经毒剂中毒引起的神经和/或呼吸衰竭；治疗神经疾病，如阿尔茨海默病；和/或治疗癌症。
• [EN] NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE<br/>[FR] NOUVEAUX RÉACTIVATEURS NON CHARGÉS CONTRE L'INHIBITION DE L'ACÉTYLCHOLINESTÉRASE HUMAINE
  申请人：UNIV STRASBOURG

  公开号：WO2015075082A1

  公开（公告）日：2015-05-28

  The present invention deals with compounds of formula (I) which are novel uncharged reactivators of human acetylcholinesterase, pharmaceutical compositions comprising said compounds, and their use for reactivating human acetylcholinesterase inhibited by at least one organophosphorus nerve agent.

  本发明涉及式(I)的化合物，这些化合物是人体乙酰胆碱酯酶的新型未带电再活化剂，包含上述化合物的药物组合物，以及它们用于再活化被至少一种有机磷神经毒剂抑制的人体乙酰胆碱酯酶的用途。