(2-(1-methyl-1H-pyrazol-3-yl)pyridin-5-yl)methanol

• 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: (2-(1-methyl-1H-pyrazol-3-yl)pyridin-5-yl)methanol
• 英文别名: (6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methanol；[6-(1-methylpyrazol-3-yl)pyridin-3-yl]methanol
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: QGBCULWUSAFELB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-(1-methyl-1H-pyrazol-3-yl)pyridin-5-yl)methanol 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以13 g的产率得到5-(chloromethyl)-2-(1-methyl-1H-pyrazol-3-yl)pyridine hydrochloride
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QUE MODULATEURS DES RÉCEPTEURS DE L'ACÉTYLCHOLINE

  摘要：

  公开号：

  WO2018194181A8
• 作为产物：
  描述：

  2-bromo-3-((tert-butyldimethylsilyloxy)methyl)pyridine 在 四(三苯基膦)钯 作用下， 以 噻吩 、 乙醚 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 77.0h， 生成 (2-(1-methyl-1H-pyrazol-3-yl)pyridin-5-yl)methanol
  参考文献：
  名称：

  Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin

  摘要：

  We report the discovery of a new potent allosteric effector of sickle cell hemoglobin, GBT440 (36), that increases the affinity of hemoglobin for oxygen and consequently inhibits its polymerization when subjected to hypoxic conditions. Unlike earlier allosteric activators that bind covalently to hemoglobin in a 2:1 stoichiometry, 36 binds with a 1:1 stoichiometry. Compound 36 is orally bioavailable and partitions highly and favorably into the red blood cell with a RBC/plasma ratio of similar to 150. This partitioning onto the target protein is anticipated to allow therapeutic concentrations to be achieved in the red blood cell at low plasma concentrations. GBT440 (36) is in Phase 3 clinical trials for the treatment of sickle cell disease (NCT03036813).

  DOI：

  10.1021/acsmedchemlett.6b00491

文献信息

• SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150344483A1

  公开（公告）日：2015-12-03

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• [EN] SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS D'ALDÉHYDES HÉTÉROARYLES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION DANS L'ACCROISSEMENT DE L'OXYGÉNATION TISSULAIRE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2013102145A1

  公开（公告）日：2013-07-04

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation
  申请人：Global Blood Therapeutics, Inc.

  公开号：US09012450B2

  公开（公告）日：2015-04-21

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳香醛及其衍生物，可作为血红蛋白的异构调节剂，其制备方法和中间体，包含这些调节剂的药物组成物，以及用于治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病的方法。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3643718A1

  公开（公告）日：2020-04-29

  The present invention aims to provide a compound that may be useful for the prophylaxis or treatment of constipation and the like. The present invention provides a compound represented by the following formula (I): wherein each symbol is as described in the specification, or a salt thereof.

  本发明旨在提供一种可用于预防或治疗便秘等疾病的化合物。本发明提供了由下式（I）代表的化合物： 其中各符号如说明书所述，或其盐。
• Heterocyclic compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US11236099B2

  公开（公告）日：2022-02-01

  The present invention aims to provide a compound that may be useful for the prophylaxis or treatment of constipation and the like. The present invention provides a compound represented by the following formula (I): wherein each symbol is as described in the specification, or a salt thereof.

  本发明旨在提供一种可用于预防或治疗便秘等疾病的化合物。本发明提供了由下式（I）代表的化合物： 其中各符号如说明书所述，或其盐类。