2,6-二氟-4-硫基苯酚 | 151389-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 中文名称: 2,6-二氟-4-硫基苯酚
• 英文名称: 2,6-difluoro-4-mercaptophenol
• 英文别名: 2,6-Difluoro-4-sulfanylphenol
• CAS: 151389-58-1
• 化学式: C₆H₄F₂OS
• 分子量: 162.16
• InChiKey: SPHQYNGPMMUHGX-UHFFFAOYSA-N

物化性质

• 沸点：
  203.5±40.0 °C(Predicted)
• 密度：
  1.489±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-二氟-4-硫基苯酚 在 氨 、 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 2-[4-(2-aminoethylsulfanyl)-2,6-difluorophenoxy]acetamide
  参考文献：
  名称：

  JP6241974

  摘要：

  公开号：
• 作为产物：
  描述：

  2,6-二氟苯酚 在 氯磺酸 、 硫酸 、 锌 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2,6-二氟-4-硫基苯酚
  参考文献：
  名称：

  Synthesis and evaluation of novel fluorinated sulotroban-related sulfonamide derivatives as thromboxane A2 receptor antagonists

  摘要：

  A series of sulotroban-related arylsulfonamide derivatives possessing a fluorinated phenoxyacetic acid moiety was synthesized and tested for TXA(2) antagonizing ability on U-46619-induced platelet aggregation of rabbit platelet-rich plasma. Introduction of one or more fluorine atoms to the phenoxyacetic acid moiety increased this activity. The most potent compound among these compounds was 10c, which was 40-fold more potent (IC50 3.4 x 10(-7) M) than sulotroban. 10c exhibited high activity (ID50, 0.14 mg/kg) against a U-46619-induced acute thrombocytopenia model in mice when orally administrated. These findings and those of radioligand binding assays with various ligands showed 10c to be a potent and selective systemic TXA, receptor antagonist.

  DOI：

  10.1016/0223-5234(96)88250-x

文献信息

• [EN] INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE<br/>[FR] INHIBITEURS DE LA SEMIALDÉHYDE DÉCARBOXYLASE DE L'ACIDE ALPHA-AMINO-BÊTA-CARBOXYMUCONIQUE
  申请人：TES PHARMA S R L

  公开号：WO2018069532A1

  公开（公告）日：2018-04-19

  The present disclosure discloses compounds capable of modulating the activity of α- amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD+ biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.

  本公开揭示了能够调节α-氨基-β-羧基琥珀酸半醛脱羧酶（ACMSD）活性的化合物，这些化合物对于预防和/或治疗与NAD+生物合成缺陷相关的疾病和疾病非常有用，例如代谢紊乱、神经退行性疾病、慢性炎症性疾病、肾脏疾病以及与衰老相关的疾病。本申请还揭示了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。
• NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR
  申请人：Public University Corporation Yokohama City University

  公开号：EP3321252A1

  公开（公告）日：2018-05-16

  The present invention provides a compound represented by formula (I), a pharmaceutically acceptable salt thereof or a solvate thereof. (In the formula, each of A and Z independently represents CO, SO or SO2; each of X and Y independently represents S or O; each of R1-R4 independently represents hydrogen, alkyl, alkenyl, alkynyl or halo; each R5 independently represents alkyl, alkenyl, alkynyl or halo; and n represents an integer of 0-4.) This compound is capable of specifically binding to an AMPA receptor, and shows extremely high brain uptake.

  本发明提供了一种由式 (I) 代表的化合物、其药学上可接受的盐或其溶液。 (式中，A和Z各自独立地代表CO、SO或SO2；X和Y各自独立地代表S或O；R1-R4各自独立地代表氢、烷基、烯基、炔基或卤代物；R5各自独立地代表烷基、烯基、炔基或卤代物；n代表0-4的整数)。这种化合物能够特异性地与 AMPA 受体结合，并显示出极高的脑吸收率。
• PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH AMPA RECEPTORS
  申请人：Public University Corporation Yokohama City University

  公开号：EP3569229A1

  公开（公告）日：2019-11-20

  This prophylactic and/or therapeutic agent for diseases associated with AMPA receptors contains a compound represented by formula (I), or a pharmaceutically acceptable salt or solvate thereof. (In the formula, A and Z independently represent CO, SO or SO2; X and Y are independently S or O; R1-R4 are independently hydrogen, an alkyl group, an alkenyl group, an alkynyl group or a halo group; R5 is, independently for each occurrence, an alkyl group, an alkenyl group, an alkynyl group or a halo group; and n is an integer of 0-4).

  这种与 AMPA 受体相关疾病的预防和/或治疗剂含有由式 (I) 代表的化合物或其药学上可接受的盐或溶液。(式中，A 和 Z 独立地代表 CO、SO 或 SO2；X 和 Y 独立地为 S 或 O；R1-R4 独立地为氢、烷基、烯基、炔基或卤代基团；R5 在每次出现时独立地为烷基、烯基、炔基或卤代基团；n 为 0-4 的整数）。
• IMAGING METHOD OF AMPA RECEPTORS IN BRAIN OF PRIMATE ORGANISM, PROGRAM, DIAGNOSTIC AGENT, COMPANION DIAGNOSTIC AGENT, DRUG, SCREENING METHOD, INPUT TERMINAL, SERVER AND SYSTEM
  申请人：Public University Corporation Yokohama City University

  公开号：EP3569255A1

  公开（公告）日：2019-11-20

  This imaging method of AMPA receptors in the brain of primate organisms involves a step in which a substance which is administered to the primate organism and which selectively bonds to AMPA receptors in the brain of the primate organism and has a radiolabel is transported into the brain and made to bond with AMPA receptors in the brain, and, by detecting radiation emitted from the substance bonded to the AMPA receptors in the brain, data is obtained relating to the distribution and/or expression level of the AMPA receptors in the brain.

  这种灵长类生物脑内 AMPA 受体的成像方法包括以下步骤：给灵长类生物注射一种物质，该物质可选择性地与灵长类生物脑内的 AMPA 受体结合，并具有放射性标记，该物质被输送到脑内并与脑内的 AMPA 受体结合，通过检测与脑内 AMPA 受体结合的物质发出的辐射，获得与脑内 AMPA 受体的分布和/或表达水平有关的数据。
• Compound that specifically binds to AMPA receptor
  申请人：Public University Corporation Yokohama City University

  公开号：US10335503B2

  公开（公告）日：2019-07-02

  The present invention provides a compound represented by formula (I), a pharmaceutically acceptable salt thereof or a solvate thereof. (In the formula, each of A and Z independently represents CO, SO or SO2; each of X and Y independently represents S or O; each of R1-R4 independently represents a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group or a halogen group; each R5 independently represents an alkyl group, an alkenyl group, an alkynyl group or a halogen group; and n represents an integer of 0-4.) This compound is capable of specifically binding to an AMPA receptor, and shows extremely high brain uptake.

  本发明提供了一种由式 (I) 代表的化合物、其药学上可接受的盐或其溶液。 (式中，A和Z各自独立地代表CO、SO或SO2；X和Y各自独立地代表S或O；R1-R4各自独立地代表氢原子、烷基、烯基、炔基或卤素基；R5各自独立地代表烷基、烯基、炔基或卤素基；n代表0-4的整数)。这种化合物能够与 AMPA 受体特异性结合，并显示出极高的脑吸收率。