5-(氯甲基)烟酸甲酯盐酸盐 | 179072-14-1

• 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
• 中文名称: 5-(氯甲基)烟酸甲酯盐酸盐
• 英文名称: methyl 5-(chloromethyl)nicotinate hydrochloride
• 英文别名: Methyl 5-(chloromethyl)nicotinate hydrochloride；methyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
• CAS: 179072-14-1
• 化学式: C₈H₈ClNO₂*ClH
• 分子量: 222.071
• InChiKey: YTQKJVLJTRNZLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-(氯甲基)烟酸甲酯盐酸盐 在 咪唑 、 sodium 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 methyl 5-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfanylmethyl]pyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Some Acyclic Pyridine C-Nucleosides. Part Two

  摘要：

  3-Bromo-5-(2-hydroxyethylthiomethyl)pyridine ((7) under bar) was synthesized by reaction of 3-bromo-5-chloromethylpyridine hydrochloride ((6) under bar) with the mono sodium salt of 2-mercaptoethanol. 3-Bromo-5-hydroxymethylpyridine (<(10)under bar>) was, after protection as a silyl ether, converted to the 3-carboxy analogue using BuLi and CO2. After deprotection with NH4F, the alcohol function was chlorinated using SOCl2. Finally, attachment of the acyclic chain and ammonolysis gave the acyclic nicotinamide nucleosides. Treatment of the latter compounds with Lawesson's reagent gave the thioamide analogues. All compounds were identified by NMR and DCI-MS. The acyclic pyridine C-nucleosides were evaluated against a series of tumor-cell lines and a variety of viruses. No marked biological activity was found.

  DOI：

  10.1080/07328319608007388
• 作为产物：
  描述：

  5-羟基甲基烟酸甲酯 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到5-(氯甲基)烟酸甲酯盐酸盐
  参考文献：
  名称：

  [EN] THERAPEUTIC INHIBITORY COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS THÉRAPEUTIQUES

  摘要：

  该发明提供了Formula I和Formula II的化合物：A-B-C-D-E-F-G-J (I)和C-D-E-F-G-J (II)，其中A、B、C、D、E、F、G和J具有规范中定义的任何值，以及它们的盐。这些化合物对抑制血浆激肽酶和治疗动物中需要抑制血浆激肽酶的疾病或症状是有用的。

  公开号：

  WO2015103317A1

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 BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS BENZALDÉHYDE SUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CEUX-CI DANS L'AUGMENTATION DE L'OXYGÉNATION DES TISSUS
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2013102142A1

  公开（公告）日：2013-07-04

  Provided are substituted benzaldehydes 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.

  提供了替代苯甲醛及其衍生物，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。
• [EN] THERAPEUTIC INHIBITORY COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS THÉRAPEUTIQUES
  申请人：LIFESCI PHARMACEUTICALS INC

  公开号：WO2015103317A1

  公开（公告）日：2015-07-09

  The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

  该发明提供了Formula I和Formula II的化合物：A-B-C-D-E-F-G-J (I)和C-D-E-F-G-J (II)，其中A、B、C、D、E、F、G和J具有规范中定义的任何值，以及它们的盐。这些化合物对抑制血浆激肽酶和治疗动物中需要抑制血浆激肽酶的疾病或症状是有用的。
• MACROCYCLIC IMMUNOMODULATORS
  申请人：CHEMOCENTRYX, INC.

  公开号：US20190048022A1

  公开（公告）日：2019-02-14

  Compounds are provided that are useful as immunomodulators. The compounds have the following Formula (I) or (II): including stereoisomers and pharmaceutically acceptable salts thereof, wherein R, R 1 , R 2a , R 2b , R 2c , R 3 , R 4 , R 5 , R 6a , R 6b , R 6c , m and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  提供了作为免疫调节剂有用的化合物。这些化合物具有以下的化学式(I)或(II)：包括其立体异构体和药学上可接受的盐，其中R、R1、R2a、R2b、R2c、R3、R4、R5、R6a、R6b、R6c、m和n的定义如本文所述。还公开了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。