2-(Boc-氨基)-5-吡啶甲醇 | 169280-83-5

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 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: 2-(Boc-氨基)-5-吡啶甲醇
• 中文别名: 2-(氨基)-5-吡啶甲醇；[5-(羟基甲基)吡啶-2-基]氨基甲酸叔丁酯；2-(BOC-氨基)-5-吡啶甲醇
• 英文名称: tert-butyl (5-(hydroxymethyl)pyridin-2-yl)carbamate
• 英文别名: (5-hydroxymethylpyridin-2-yl)carbamic acid tert-butyl ester；(5-hydroxymethylpyridin-2-yl)-carbamic acid t-butyl ester；tert-butyl N-[5-(hydroxymethyl)pyridin-2-yl]carbamate
• CAS: 169280-83-5
• 化学式: C₁₁H₁₆N₂O₃
• mdl: MFCD07186264
• 分子量: 224.26
• InChiKey: BORDVYKLAFQRSP-UHFFFAOYSA-N

物化性质

• 沸点：
  332.8±32.0 °C(Predicted)
• 密度：
  1.209
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  71.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-(Boc-氨基)-5-吡啶甲醇 在 氢氧化钾 、 四溴化碳 、 sodium hydride 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 23.25h， 生成 2-(6-tert-butoxycarbonylaminopyridin-3-ylmethyl)malonic acid monoethyl ester
  参考文献：
  名称：

  Design and synthesis of potent, orally active, inhibitors of carboxypeptidase U (TAFIa)

  摘要：

  A series of 3-mercapto-propionic acid derivatives that function as reversible inhibitors of carboxypeptidase U have been prepared. We present a successful design strategy using cyclic, low basicity guanidine mimetics resulting in potent, selective and bioavailable inhibitors of carboxypeptidase U (TAFla). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.039
• 作为产物：
  描述：

  6-氨基烟酸甲酯 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 5.0h， 生成 2-(Boc-氨基)-5-吡啶甲醇
  参考文献：
  名称：

  Discovery of Ritonavir, a Potent Inhibitor of HIV Protease with High Oral Bioavailability and Clinical Efficacy

  摘要：

  The structure-activity studies leading to the potent and clinically efficacious HIV protease inhibitor ritonavir are described. Beginning with the moderately potent and orally bioavailable inhibitor A-80987, systematic investigation of peripheral (P3 and P2') heterocyclic groups designed to decrease the rate of hepatic metabolism provided analogues with improved pharmacokinetic properties after oral dosing in rats. Replacement of pyridyl groups with thiazoles provided increased chemical stability toward oxidation while maintaining sufficient aqueous solubility for oral absorption, Optimization of hydrophobic interactions with the HIV protease active site produced ritonavir, with excellent in vitro potency (EC50 = 0.02 mu M) and high and sustained plasma concentrations after oral administration in four species. Details of the discovery and preclinical development of ritonavir are described.

  DOI：

  10.1021/jm970636+

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• [EN] IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS D'IMIDAZOPYRIDINE ET D'IMIDAZOPYRAZINE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009155388A1

  公开（公告）日：2009-12-23

  A compound of Formula (I) or Formula (II) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula (I) or Formula (II), and methods of treating conditions associated with the activity of p38 kinase.

  一种由化合物（I）或化合物（II）及其对映体、二对映体和药学上可接受的盐组成的复合物。还公开了含有化合物（I）或化合物（II）的药物组合物，以及治疗与p38激酶活性相关疾病的方法。
• [EN] TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS DE TRIAZOLOPYRIDINE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009155389A1

  公开（公告）日：2009-12-23

  A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula (I), and methods of treating conditions associated with the activity of p38 kinase.

  一种由式（I）的化合物及其对映体、二对映体和药用可接受的盐组成的混合物。还公开了含有式（I）化合物的药物组合物，以及治疗与p38激酶活性相关疾病的方法。
• [EN] BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS<br/>[FR] BENZIMIDAZOLES ET ANALOGUES ASSOCIÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：SIRTRIS PHARMACEUTICALS INC

  公开号：WO2010003048A1

  公开（公告）日：2010-01-07

  Provided herein are sirtuin-modulating compounds of formula (II) The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了公式（II）的调节sirtuin的化合物。这些调节sirtuin的化合物可用于延长细胞的寿命，并用于治疗和/或预防各种疾病和紊乱，包括与衰老或压力有关的疾病或紊乱、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症、潮红以及那些会受益于增加线粒体活性的疾病或紊乱。还提供了包含调节sirtuin化合物与另一治疗剂结合的组合物。
• [EN] DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLÉINES ET DE QUINOXALINES EN TANT QU'INHIBITEURS DE PROTÉINE TYROSINE KINASES
  申请人：NOVARTIS AG

  公开号：WO2009141386A1

  公开（公告）日：2009-11-26

  The invention relates to compounds of Formula (I), wherein the substituens are as defined in the specification, in free form or in the form of a pharmaceutically acceptable salt, solvate, ester, N-oxide thereof; processes for the preparation thereof; to pharmaceuticals containing such compounds, in particular for the use in one or more Protein tyrosine kinase mediated diseases.

  该发明涉及式（I）的化合物，其中取代基如规范中定义的那样，以自由形式或作为药用盐、溶剂合物、酯、其N-氧化物的形式存在；其制备方法；含有这种化合物的药物，特别是用于治疗一个或多个蛋白酪氨酸激酶介导的疾病。