2-乙基-6-羟甲基吡啶 | 163658-33-1

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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-乙基-6-羟甲基吡啶
• 中文别名: (6-乙基吡啶-2-基)甲醇
• 英文名称: 6-ethyl-2-(hydroxymethyl)pyridine
• 英文别名: 6-Ethyl-2-pyridine methanol；(6-ethylpyridin-2-yl)methanol
• CAS: 163658-33-1
• 化学式: C₈H₁₁NO
• mdl: MFCD09832885
• 分子量: 137.181
• InChiKey: KIWCPAGPWRSQSH-UHFFFAOYSA-N

物化性质

• 沸点：
  227.6±25.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

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：

  2-乙基-6-羟甲基吡啶 在 palladium on activated charcoal 草酰氯 、 氢气 、 二甲基亚砜 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 20.67h， 生成 N-methyl-N-<(6-ethyl-2-pyridinyl)methyl>amine
  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+
• 作为产物：
  描述：

  5-己烯-3-醇 在 镍 lithium aluminium tetrahydride 、 tetrafluoroboric acid 、 草酰氯 、 氢气 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 10.67h， 生成 2-乙基-6-羟甲基吡啶
  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

• [EN] SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS<br/>[FR] COMPOSÉS N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES SUBSTITUÉS EN TANT QU'INHIBITEURS DE TYROSINE KINASE DE RÉCEPTEURS DE TYPE III
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2012082689A1

  公开（公告）日：2012-06-21

  Compounds of Formula I: and pharmaceutically acceptable salts thereof in which R1, R2, R3, R4, R5 and R6 have the meanings given in the specification, are inhibitors of cFMS and are useful in the treatment of fibrosis, bone-related diseases, cancer, autoimmune disorders, inflammatory diseases, cardiovascular diseases, pain and burns in a mammal.

  公式I的化合物及其药学上可接受的盐，在其中R1、R2、R3、R4、R5和R6具有规范中给定的含义，是cFMS的抑制剂，并且在治疗哺乳动物的纤维化、与骨相关的疾病、癌症、自身免疫性疾病、炎症性疾病、心血管疾病、疼痛和烧伤方面是有用的。
• Process for producing heterocyclic aldehyde
  申请人：Shiomi Yasuhiro

  公开号：US20050124807A1

  公开（公告）日：2005-06-09

  The present invention provides a process for preparing a heterocyclic aldehyde by oxidizing a heterocyclic alcohol with high selectivity and high yield. Specifically, the heterocyclic aldehyde is prepared by reacting a heterocyclic compound having at least one hydroxymethyl group bonded to a carbon atom of a heterocyclic ring with a hypohalogenous acid salt in the presence of a base to oxidize the hydroxymethyl group, wherein reaction is conducted in the co-presence of a 2,2,6,6-tetramethylpiperidine-1-oxyl derivative having at least two 2,2,6,6-tetramethylpiperidine-1-oxyl-4-yl groups.

  本发明提供了一种通过氧化具有高选择性和高产率的杂环醇来制备杂环醛的方法。具体来说，通过将至少有一个羟甲基基团与杂环环的碳原子键合的杂环化合物与次氯酸盐在碱的存在下反应，氧化羟甲基基团来制备杂环醛，其中反应在共存至少具有两个2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的共存下进行。
• Substituted piperidine derivatives as muscarinic M.sub.3 receptor
  申请人：Banyu Pharmaceutical Coaltd

  公开号：US06130232A1

  公开（公告）日：2000-10-10

  This invention provides substituted heteroaromatic ring derivatives which are represented by a general formula [I] below: ##STR1## [in the formula, R.sup.1 and R.sup.2 may be same or different and each signifies hydrogen, halogen or lower alkyl; R.sup.3 signifies C.sub.3 -C.sub.6 cycloalkyl or cycloalkenyl; R.sup.4 signifies a heteroaromatic ring group which may be condensed with a benzene ring and which has 1 or 2 hetero atoms selected from a group consisting of nitrogen, oxygen and sulfur atoms (said heteroaromatic ring group being optionally substituted with lower alkyl, halogen, lower alkoxy, amino or hydroxymethyl); and X stands for O or NH] or their pharmaceutically acceptable salts. The substituted heteroaromatic ring derivatives of the present invention have selective M.sub.3 muscarinic receptor antagonist activity, and hence they are useful as therapeutic or prophylactic agents which are safe and efficacious with little side effects, of respiratory diseases such as asthma, chronic airway obstruction and pulmonary fibrosis, etc.; urinary diseases which induce such urination disorders as pollakiurea, urgency and urinary incontinence, etc.; and gastrointestinal diseases such as irritable bowel syndrome, spasm of gastrointestinal tract and gastrointestinal hyperkinesis.

  本发明提供了一种由下式[I]表示的取代杂芳环衍生物：##STR1## [在公式中，R.sup.1和R.sup.2可以相同或不同，分别表示氢、卤素或低烷基；R.sup.3表示C.sub.3-C.sub.6环烷基或环烯基；R.sup.4表示一种杂芳环基团，可以与苯环融合，并且具有从氮、氧和硫原子中选择的1或2个杂原子（该杂芳环基团可以选用低烷基，卤素，低烷氧基，氨基或羟甲基进行取代）；X代表O或NH]或其药学上可接受的盐。本发明的取代杂芳环衍生物具有选择性的M.sub.3肌动蛋白受体拮抗作用，因此它们可用作治疗或预防剂，对于呼吸道疾病，如哮喘、慢性气道阻塞和肺纤维化等，具有安全、有效且副作用小的作用；对于引起排尿障碍，如尿频、尿急和尿失禁等的泌尿系统疾病；以及对于肠易激综合征、胃肠道痉挛和胃肠道过度运动等胃肠道疾病。
• PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS
  申请人：Wang Yihan

  公开号：US20120202776A1

  公开（公告）日：2012-08-09

  The invention features compounds of the general formula (I) in which the variable groups are as defined herein, and to their preparation and use.

  该发明涉及通式（I）中变量基团如此定义的化合物，以及它们的制备和使用。
• Spiroisoquinoline compound, a method for preparing the same and an intermediate thereof
  申请人：——

  公开号：US20040106635A1

  公开（公告）日：2004-06-03

  The present invention provides a novel spiroistiquinoline derivative of the formula [I]: which has a small-conductance potassium channel (SK) blocking activity and is useful as a medicament, a method for preparing the same and an intermediate thereof. 1

  本发明提供了一种新的螺环异喹啉衍生物，其化学式为[I]：具有小电导钾通道（SK）阻滞活性，可用作药物，提供其制备方法和中间体。1