3-氯-5-氟-4-甲氧基苯甲酸 | 886497-22-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯-5-氟-4-甲氧基苯甲酸
• 英文名称: 3-chloro-5-fluoro-4-methoxybenzoic acid
• CAS: 886497-22-9
• 化学式: C₈H₆ClFO₃
• 分子量: 204.585
• InChiKey: FDWCHZNFULHBCP-UHFFFAOYSA-N

物化性质

• 沸点：
  306.1±37.0 °C(Predicted)
• 密度：
  1.439±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-氯-5-氟-4-甲氧基苯甲酸 在 二硫化碳 、 aluminum (III) chloride 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 20.0h， 生成 (3-chloro-5-fluoro-4-hydroxyphenyl)(2-ethyl-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
  参考文献：
  名称：

  [EN] INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF
  [FR] INHIBITEURS D'URAT1 ET UTILISATIONS PHARMACEUTIQUES ASSOCIÉES

  摘要：

  本发明涉及制药化合物、组合物、组合以及方法，特别是涉及与含有过多尿酸相关的痛风等疾病的治疗和/或预防的组合物和方法。本发明提供了式(I)的化合物，如下文所述，该化合物抑制尿酸重吸收转运蛋白1 (URAT1，也称为SLC22A12)的活性。这些化合物可用于治疗与尿酸含量过高相关的疾病，如痛风。

  公开号：

  WO2022169974A1
• 作为产物：
  描述：

  methyl 3-chloro-5-fluoro-4-methoxybenzoate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以94.7%的产率得到3-氯-5-氟-4-甲氧基苯甲酸
  参考文献：
  名称：

  [EN] INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF
  [FR] INHIBITEURS D'URAT1 ET UTILISATIONS PHARMACEUTIQUES ASSOCIÉES

  摘要：

  本发明涉及制药化合物、组合物、组合以及方法，特别是涉及与含有过多尿酸相关的痛风等疾病的治疗和/或预防的组合物和方法。本发明提供了式(I)的化合物，如下文所述，该化合物抑制尿酸重吸收转运蛋白1 (URAT1，也称为SLC22A12)的活性。这些化合物可用于治疗与尿酸含量过高相关的疾病，如痛风。

  公开号：

  WO2022169974A1

文献信息

• NOVEL PHENOL DERIVATIVE
  申请人：Kobashi Seiichi

  公开号：US20120184587A1

  公开（公告）日：2012-07-19

  Disclosed are a novel compound and a pharmaceutical product, each having a remarkable uricosuric effect. Specifically disclosed are: a novel phenol derivative represented by general formula (1) that is shown in FIG. 1 ; a pharmaceutically acceptable salt thereof; a hydrate of the derivative or the salt; and a solvate of the derivative or the salt. (In the formula, R 1 and R 2 may be the same or different and each represents a lower alkyl group, a lower alkenyl group, a lower alkynyl group, a lower alkoxy group, a haloalkyl group, a haloalkoxy group, an alkylsulfanyl group, an alkylsulfinyl group, an alkylsulfonyl group, a lower alkyl-substituted carbamoyl group, a saturated nitrogen-containing heterocyclic N-carbonyl group, a halogen atom, a cyano group or a hydrogen atom; R 3 represents a lower alkyl group, a haloalkyl group, a halogen atom, a hydroxy group or a hydrogen atom; and X represents a sulfur atom, an —S(═O)— group or an —S(═O) 2 — group.)

  揭示了一种新型化合物和一种药物产品，每种都具有显著的利尿酸效果。具体揭示了：一种新型酚衍生物，其通式（1）如图1所示；其药学上可接受的盐；该衍生物或盐的水合物；以及该衍生物或盐的溶剂化合物。（在该式中，R1和R2可以相同也可以不同，每个代表较低的烷基基团、较低的烯基基团、较低的炔基基团、较低的烷氧基团、卤代烷基基团、卤代烷氧基团、烷基硫基团、烷基亚硫基团、烷基磺基团、较低烷基取代的氨基甲酰基团、饱和的含氮杂环N-羰基团、卤素原子、氰基或氢原子；R3代表较低的烷基基团、卤代烷基基团、卤素原子、羟基或氢原子；X代表硫原子、—S(═O)—基团或—S(═O)2—基团。）
• [EN] THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS ARYLAMIDOARYLIQUES THÉRAPEUTIQUES ET LEUR UTILISATION
  申请人：KING S COLLEGE LONDON

  公开号：WO2011027106A1

  公开（公告）日：2011-03-10

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as "AAA compounds"), which, inter alia, are (selective) retinoic acid receptor α (RARα) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARα, and in the treatment of diseases and conditions that are mediated by RARα, that are ameliorated by the activation of RARα, etc., including cognitive disorders, memory impairment, memory deficit, senile dementia, Alzheimer's disease, early stage Alzheimer's disease, intermediate stage Alzheimer's disease, late stage Alzheimer's disease, cognitive impairment, and mild cognitive impairment.

  本发明一般涉及治疗化合物领域，更具体地涉及以下结构的某些芳基酰胺-芳基化合物（为方便起见，统称为“AAA化合物”），这些化合物是（选择性的）视黄酸受体α（RARα）激动剂。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体内外（选择性地）激活RARα，并用于治疗由RARα介导的疾病和症状，通过激活RARα得到改善等方面，包括认知障碍、记忆障碍、记忆缺陷、老年痴呆症、阿尔茨海默病、早期阿尔茨海默病、中期阿尔茨海默病、晚期阿尔茨海默病、认知障碍和轻度认知障碍的治疗。
• Therapeutic Aryl-Amido-Aryl Compounds and Their Use
  申请人：Corcoran Jonathan Patrick Thomas

  公开号：US20120149737A1

  公开（公告）日：2012-06-14

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as “AAA compounds”), which, inter alia, are (selective) retinoic acid receptor α (RARα) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARα, and in the treatment of diseases and conditions that are mediated by RARα, that are ameliorated by the activation of RARα, etc., including cognitive disorders, memory impairment, memory deficit, senile dementia, Alzheimer's disease, early stage Alzheimer's disease, intermediate stage Alzheimer's disease, late stage Alzheimer's disease, cognitive impairment, and mild cognitive impairment.

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些芳基酰胺-芳基化合物（为方便起见，以下统称为“AAA化合物”），其为（选择性）视黄酸受体α（RARα）激动剂。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体外和体内（选择性地）激活RARα，并用于治疗由RARα介导的疾病和症状，以及通过激活RARα改善的疾病和症状，包括认知障碍、记忆障碍、记忆缺陷、老年性痴呆、阿尔茨海默病、早期阿尔茨海默病、中期阿尔茨海默病、晚期阿尔茨海默病、认知损害和轻度认知损害。
• Phenol derivative
  申请人：Kobashi Seiichi

  公开号：US08367843B2

  公开（公告）日：2013-02-05

  Disclosed are a novel compound and a pharmaceutical product, each having a remarkable uricosuric effect. Specifically disclosed are: a novel phenol derivative represented by general formula (1) that is shown in FIG. 1; a pharmaceutically acceptable salt thereof; a hydrate of the derivative or the salt; and a solvate of the derivative or the salt. (In the formula, R1 and R2 may be the same or different and each represents a lower alkyl group, a lower alkenyl group, a lower alkynyl group, a lower alkoxy group, a haloalkyl group, a haloalkoxy group, an alkylsulfanyl group, an alkylsulfinyl group, an alkylsulfonyl group, a lower alkyl-substituted carbamoyl group, a saturated nitrogen-containing heterocyclic N-carbonyl group, a halogen atom, a cyano group or a hydrogen atom; R3 represents a lower alkyl group, a haloalkyl group, a halogen atom, a hydroxy group or a hydrogen atom; and X represents a sulfur atom, an —S(═O)— group or an —S(═O)2— group.)

  本发明涉及一种新型化合物和制药产品，均具有显著的尿酸排泄作用。具体公开的是：一种新型酚衍生物，其通式（1）如图1所示；其药学上可接受的盐；该衍生物或盐的水合物；以及该衍生物或盐的溶剂化物。（在式中，R1和R2可以相同也可以不同，每个代表低级烷基基团、低级烯基基团、低级炔基基团、低级烷氧基团、卤代烷基基团、卤代烷氧基团、烷基硫基基团、烷基亚砜基基团、烷基磺酰基基团、低级烷基取代的氨基甲酰基团、饱和含氮杂环N-羰基基团、卤素原子、氰基或氢原子；R3代表低级烷基基团、卤代烷基基团、卤素原子、羟基或氢原子；X代表硫原子、-S（=O）-基团或-S（=O）2-基团。）
• Synthesis and structure–activity relationships of pyrazole-based inhibitors of meprin α and β
  作者：Kathrin Tan、Christian Jäger、Stefanie Geissler、Dagmar Schlenzig、Mirko Buchholz、Daniel Ramsbeck

  DOI：10.1080/14756366.2023.2165648

  日期：2023.12.31

  reported, only inhibitors of meprin α with modest activity or selectivity are known. Starting from recently reported heteroaromatic scaffolds, the aim of this study was the optimisation of meprin α and/or meprin β inhibition while keeping the favourable off-target inhibition profile over other metalloproteases. We report potent pan-meprin inhibitors as well as highly active inhibitors of meprin α with superior

  摘要 长期以来，靶向金属蛋白酶一直是药物设计的重点。然而，meprin α 和 β 最近才成为潜在的药物靶点，并且与多种具有不同病理背景的疾病有关。尽管如此，安眠药作为合适药物靶标的验证仍然需要高效和选择性抑制剂作为化学探针来阐明它们在病理生理学中的作用。尽管已经报道了安眠蛋白 β 的高选择性抑制剂，但只有具有适度活性或选择性的安眠蛋白 α 抑制剂是已知的。从最近报道的杂芳基支架开始，本研究的目的是优化安眠蛋白 α 和/或安眠蛋白 β 的抑制作用，同时保持优于其他金属蛋白酶的脱靶抑制特性。我们报告了有效的泛安眠蛋白抑制剂以及安眠蛋白 α 的高活性抑制剂，其选择性优于安眠蛋白 β。后者适合用作化学探针并能够进行进一步的目标验证。