methyl 5-(methoxymethoxy)pyridine-2-carboxylate | 1403469-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 5-(methoxymethoxy)pyridine-2-carboxylate
• 英文别名: Methyl 5-(methoxymethoxy)pyridine-2-carboxylate
• CAS: 1403469-21-5
• 化学式: C₉H₁₁NO₄
• 分子量: 197.191
• InChiKey: QKLWFHJFJRRWLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 5-(methoxymethoxy)pyridine-2-carboxylate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 5-(methoxymethoxy)picolinic acid
  参考文献：
  名称：

  [EN] ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] COMPOSÉ ANTITUMORAL, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种抗肿瘤化合物及其制备方法和应用

  摘要：

  一种抗肿瘤化合物及其制备方法和应用，具体涉及一种化合物或其互变异构体、内消旋体、外消旋体、对映异构体、非对映异构体、或其混合物形式，或其可药用的盐，及其制备方法和应用。

  公开号：

  WO2022068878A1
• 作为产物：
  描述：

  5-羟基-2-吡啶羧酸 在 氯化亚砜 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 32.0h， 生成 methyl 5-(methoxymethoxy)pyridine-2-carboxylate
  参考文献：
  名称：

  Novel Tetrahydropyrido[1,2-a]isoindolone Derivatives (Valmerins): Potent Cyclin-Dependent Kinase/Glycogen Synthase Kinase 3 Inhibitors with Antiproliferative Activities and Antitumor Effects in Human Tumor Xenografts

  摘要：

  The development of CDK and GSK3 inhibitors has been regarded as a potential therapeutic approach, and a substantial number-of-diverse structures have been reported to inhibit CDKs and GSK-3 beta. in recent years. Only a few molecules have gone through or are currently undergoing clinical trials as CDK and GSK inhibitors. In this paper, we prepared valmerins, a new family containing the tetrahydropyrido[1,2-a]isoindone core. The fused heterocycle was prepared with a straightforward synthesis that was functionalized by a (het)arylurea. Twelve valmerins inhibited the CDK5 and GSK3 with an IC50 < 100 nM. A semiquantitative kinase scoring was realized, and a cellular screening was done. At the end of study, we investigated the in vivo potency of one valmerin. Mice exhibited good tolerance to our lead, which proved its efficacy and clearly blocked tumor growth. Valmerins appear also as good candidates: for further development as anticancer agents.

  DOI：

  10.1021/jm3008536

文献信息

• [EN] 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE<br/>[FR] IMINOTHIAZINES 5-SUBSTITUÉES ET LEUR MONOXYDES ET DIOXYDES COMME INHIBITEURS DE BACE, LEURS COMPOSITIONS ET LEUR UTILISATION
  申请人：SCHERING CORP

  公开号：WO2012139425A1

  公开（公告）日：2012-10-18

  The present invention discloses certain iminothiazine compounds and mono- and dioxides thereof, including compounds Formula (I): and tautomers and stereoisomers thereof, and pharmaceutically acceptable salts of said compounds, said tautomers and said stereoismers, wherein each of variables shown in the formula are as defined herein. The compounds of the invention may be useful as BACE inhibitors and/or for the treatment and prevention of various pathologies related thereto. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and uses, including Alzheimer's disease, are also disclosed.

  本发明揭示了某些咪唑啉化合物及其单体和二氧化物，包括化合物Formula (I)：及其互变异构体和立体异构体，以及所述化合物、所述互变异构体和所述立体异构体的药用盐，其中公式中显示的各变量如本文所定义。本发明的化合物可能作为BACE抑制剂，用于治疗和预防与之相关的各种病理。还公开了包括一种或多种这样的化合物（单独和与一种或多种其他活性剂组合）的药物组合物，以及它们的制备和用途方法，包括阿尔茨海默病。
• [EN] PROBES FOR IMAGING HUNTINGTIN PROTEIN<br/>[FR] SONDES D'IMAGERIE DE LA PROTÉINE HUNTINGTINE
  申请人：CHDI FOUNDATION INC

  公开号：WO2016033445A1

  公开（公告）日：2016-03-03

  Provided are imaging agents comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof, and methods of their use.

  提供了包含化合物I式或其药用可接受盐的成像试剂，以及它们的使用方法。
• 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Wu Wen-Lian

  公开号：US20140128382A1

  公开（公告）日：2014-05-08

  The present invention discloses certain iminothiazine compounds and mono- and dioxides thereof, including compounds Formula (I): and tautomers and stereoisomers thereof, and pharmaceutically acceptable salts of said compounds, said tautomers and said stereoisomers, wherein each of variables shown in the formula are as defined herein. The compounds of the invention may be useful as BACE inhibitors and/or for the treatment and prevention of various pathologies related thereto. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and uses, including Alzheimer's disease, are also disclosed.

  本发明揭示了某些亚胺噻唑化合物及其单体和二氧化物，包括化合物公式（I）：及其互变异构体和立体异构体，以及所述化合物、所述互变异构体和所述立体异构体的药学上可接受的盐，其中公式中所示的每个变量如本文所定义。本发明的化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理学。本发明还揭示了包括一种或多种此类化合物（单独和与一种或多种其他活性剂组合）的制药组合物，以及其制备和用途的方法，包括阿尔茨海默病。
• [EN] ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN<br/>[FR] COMPOSÉS D'ISOINDOLINONE ET AGENTS D'IMAGERIE POUR L'IMAGERIE DE LA PROTÉINE HUNTINGTINE
  申请人：CHDI FOUNDATION INC

  公开号：WO2022216947A1

  公开（公告）日：2022-10-13

  Provided herein are certain isoindolinone compounds and imaging agents useful for detecting a disease or condition associated with protein aggregation, compositions thereof, and methods of their use.

  本文提供了某些异吲哚啉酮化合物和成像剂，用于检测与蛋白质聚集相关的疾病或病况，以及它们的组成物和使用方法。
• Probes for imaging huntingtin protein
  申请人：CHDI Foundation, Inc.

  公开号：US10479802B2

  公开（公告）日：2019-11-19

  Provided are imaging agents comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof, and methods of their use.

  本文提供了由式（I）化合物或其药学上可接受的盐组成的成像剂及其使用方法。