6-甲基-3-吡啶乙酸乙酯 | 91843-27-5

• 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
• 中文名称: 6-甲基-3-吡啶乙酸乙酯
• 中文别名: 6-甲基吡啶-3-乙酸乙酯
• 英文名称: ethyl (6-methylpyridin-3-yl)acetate
• 英文别名: Ethyl-(2-methyl-5-pyridyl)acetat；Ethyl-(2-methyl-5-pyridyl)acetate；Ethyl-2-methylpyridyl-5-acetat；<2-Methyl-pyridyl-(5)>-essigsaeure-ethylester；(6-methyl-pyridin-3-yl)-acetic acid ethyl ester；(6-Methyl-[3]pyridyl)-essigsaeure-aethylester；(6-methyl-[3]pyridyl)-acetic acid ethyl ester；ethyl 6-methyl-3-pyridineacetate；Ethyl 2-(6-methylpyridin-3-yl)acetate
• CAS: 91843-27-5
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: VRZNDLSLVBGHLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-甲基-3-吡啶乙酸乙酯 在 sodium hydroxide 、 potassium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-(6-Methyl-pyridin-3-yl)-cyclopentanecarboxylic acid
  参考文献：
  名称：

  N-(Arylacetyl)-biphenylalanines as Potent VLA-4 Antagonists

  摘要：

  A series of potent N-(aralkyl-, arylcycloalkyl-, and heteroaryl-acyl)-4-biphenylalanine VLA-4 antagonists was prepared by rapid analogue methods using solid-phase chemistry. Further optimization led to several highly potent compounds (IC50 < 1 nM). Evaluation of rat pharmacokinetic revealed generally high clearance. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00366-9
• 作为产物：
  描述：

  5-乙酰基-2-甲基吡啶 在 吗啉 、 硫酸 、 sulfur 作用下， 生成 6-甲基-3-吡啶乙酸乙酯
  参考文献：
  名称：

  Parasympathetic Blocking Agents. III. N-Alkylpiperidinecarboxylic Esters¹

  摘要：

  DOI：

  10.1021/ja01512a050

文献信息

• OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS
  申请人：The Governors of the University of Alberta

  公开号：US20180186721A1

  公开（公告）日：2018-07-05

  Described herein are methods of oxidative coupling of aryl boron reagents with sp 3 -carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis.

  本文描述了一种利用氧化偶联芳基硼试剂与sp3-碳亲核试剂进行反应的方法，以及通过氧化催化实现马隆酸半酯的环境脱羧芳基化。
• VITAMIN D-LIKE COMPOUND
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1894911A1

  公开（公告）日：2008-03-05

  The present invention provides a compound represented by the following general formula (I): or a pharmaceutically acceptable salt thereof, a pharmaceutical composition containing such a compound, and the like. The compound or a pharmaceutically acceptable salt thereof, the pharmaceutical composition containing such a compound, or the like is useful as a medicine or the like for therapy of benign prostatic hyperplasia, cancer, osteoporosis, psoriasis, secondary hyperparathyroidism, chronic glomerulonephritis, lupus nephritis and/or diabetic nephropathy and the like.

  本发明提供了一种由下列通式（I）表示的化合物： 或其药用的可接受盐，包含该化合物的药物组合物等。该化合物或其药用的可接受盐，包含该化合物的药物组合物等，用作治疗良性前列腺增生、癌症、骨质疏松症、银屑病、继发性甲状旁腺功能亢进、慢性肾小球肾炎、狼疮性肾炎和/或糖尿病性肾病等的药物等。
• N-&lsqb;5-&lsqb;&lsqb;&lsqb;5-alkyl-2-oxazolyl&rsqb;methyl&rsqb;thio&rsqb;-2-thiazolyl&rsqb;-carboxamide inhibitors of cyclin dependent kinases
  申请人：Bristol-Myers Squibb Company

  公开号：US06214852B1

  公开（公告）日：2001-04-10

  The present invention describes compounds of formula I and enantiomers, diastereomers and pharmaceutically acceptable salts thereof. The formula I compounds are protein kinase inhibitors and are useful in the treatment of proliferative diseases, for example, cancer, inflammation and arthritis. They may also be useful in the treatment of Alzheimer's disease, chemotherapy-induced alopecia, and cardiovascular disease.

  本发明描述了式I的化合物及其对映体、二对映体和药学上可接受的盐。式I化合物是蛋白激酶抑制剂，可用于治疗增殖性疾病，例如癌症、炎症和关节炎。它们也可能对治疗阿尔茨海默病、化疗诱导的脱发和心血管疾病有用。
• Discovery of Molidustat (BAY 85-3934): A Small-Molecule Oral HIF-Prolyl Hydroxylase (HIF-PH) Inhibitor for the Treatment of Renal Anemia
  作者：Hartmut Beck、Mario Jeske、Kai Thede、Friederike Stoll、Ingo Flamme、Metin Akbaba、Jens-Kerim Ergüden、Gunter Karig、Jörg Keldenich、Felix Oehme、Hans-Christian Militzer、Ingo V. Hartung、Uwe Thuss

  DOI：10.1002/cmdc.201700783

  日期：2018.5.23

  4‐diheteroaryl‐1,2‐dihydro‐3H‐pyrazol‐3‐ones as orally bioavailable HIF‐PH inhibitors for the treatment of anemia. High‐throughput screening of our corporate compound library identified BAY‐908 as a promising hit. The lead optimization program then resulted in the identification of molidustat (BAY 85‐3934), a novel small‐molecule oral HIF‐PH inhibitor. Molidustat is currently being investigated in clinical phase III

  缺氧诱导因子脯氨酰羟化酶（HIF-PH）的小分子抑制剂目前正在临床开发中，作为慢性肾病（CKD）相关贫血的新治疗选择。HIF-PH 的抑制模拟缺氧并导致促红细胞生成素 (EPO) 表达增加，从而增加红细胞生成。在此，我们描述了新型 2,4-二杂芳基-1,2-二氢-3 H-吡唑-3-酮类药物的发现、合成、结构-活性关系 (SAR) 和拟议的结合模式，作为口服生物可利用的 HIF- PH抑制剂贫血的治疗。对我们公司化合物库的高通量筛选确定 BAY-908 是一个有前景的热门产品。先导化合物优化计划最终鉴定出莫度司他 (BAY 85-3934)，这是一种新型小分子口服 HIF-PH 抑制剂。Molidustat 目前正在临床 III 期试验中研究作为 molidustat 钠用于治疗 CKD 患者贫血。
• Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives
  申请人：Buettelmann Bernd

  公开号：US20070082890A1

  公开（公告）日：2007-04-12

  The present invention is concerned with substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives of the following formula wherein the definition of substituents is described in the claims. This class of compounds shows high affinity and selectivity for GABA A α5 receptor binding sites and might be useful as a cognitive enhancer or for the treatment of cognitive disorders like Alzheimer's disease.

  本发明涉及以下式的取代咪唑[1,5-a][1,2,4]三唑[1,5-d][1,4]苯二氮䓬啉衍生物，其中取代基的定义在权利要求中描述。这类化合物对GABA A α5受体结合位点表现出高亲和力和选择性，可能有助于作为认知增强剂或治疗认知障碍如阿尔茨海默病的药物。