CAS: 93913-86-1; 1-Pyridine-4-Yl-Piperidine-4-Carboxylic Acid

该化合物是一种化学化合物,其独特的结构特征包括一个管状环和一条丙烯酸.该化合物通常具有与三环胺和氨基酸有关的特性,这些特性可影响其溶性,反应性和生物活动.一般而言,在室温下是一种固体,由于存在碳本体酸功能组,极地溶剂中可能有中等溶性.该化合物的结构表明,在药用化学方面,特别是在药物的开发方面,可能具有潜在用途,因为它可能通过氢结合和欧元的堆叠相互作用与生物目标发生相互作用.此外,两种含氮环的存在可能有助于其药理学特性,从而有可能进一步调查药物发现.

英文名称1-Pyridine-4-Yl-Piperidine-4-Carboxylic Acid
中文名称1-(吡啶-4-基)哌啶-4-羧酸
IUPAC名称1-(pyridin-4-yl)piperidine-4-carboxylic acid
其它别名1-吡啶-4-基-哌啶-4-甲酸; 1-Pyridine-4-Yl-Piperidine-4-Carboxylic Acid
CAS编号93913-86-1
MFCD编号:MFCD08235220
EINECS号:674-808-2
分子式:C11H14N2O2分子量:206.24
产品CID: 1982236
产品分类有机原料→材料科学→MOF有机配体→其它MOF配体

相似结构搜索
InChIKey: UISWRUUBFFHGLE-UHFFFAOYSA-N
InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数2.0

相似化合物

210962-09-7 1209880-00-1 121912-29-6

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
安全声明H315 (100%)H319 (100%)H335 (100%)

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 1-(Pyridin-4-yl)-Piperidine-4-Carboxylic Acid 主要起始原料 Ethyl Isonicotinate And 4-Chloropyridinium Chloride
7379-35-3 + 1126-09-6 = 93913-86-1
反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol,Water; 5 D,140 °C
标题:Synthesis And Biological Evaluation Of Direct Thrombin Inhibitors Bearing 4-(Piperidin-1-Yl)Pyridine At The P1 Position With Potent Anticoagulant Activity
作者:De Candia,Modesto; Fiorella,Filomena; Lopopolo,Gianfranco; Carotti,Andrea; Romano,Maria Rosaria; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(21) 页码:8696-8711]

7379-35-3 + 1126-09-6 = 93913-86-1
反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol; 120 °C
标题:Non-Amidine-Containing 1,2-Dibenzamidobenzene Inhibitors Of Human Factor Xa With Potent Anticoagulant And Antithrombotic Activity
作者:Masters,John J.; Franciskovich,Jeffry B.; Tinsley,Jennifer M.; Campbell,Charles; Campbell,Jack B.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2000 卷标:43(11) 页码:2087-2092]

121912-29-6 = 93913-86-1
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6,Rt -> 0 °C
标题:Preparation Of Peptides For Eliciting An αvβ5 Or Dual αvβ3/αvβ5 Antagonizing Effect
参考文献:United Kingdom]

121912-29-6 = 93913-86-1
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; 12 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6
标题:Preparation Of 4-[(4-Piperazinobeznoyl)Amino]Phenyl(Oxy)Alkanoates As Fibrinogen Receptor Antagonists
参考文献:United States]

121912-29-6 = 93913-86-1
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; 12 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6
标题:Preparation Of Heterocyclyl-Substituted Phenoxyalkanoic Acids As Fibrinogen Receptor Antagonists
参考文献:World Intellectual Property Organization]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Furopyridine Derivatives As Fxa Inhibitors
参考文献:Japan]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Heterocyclic Fibrinogen Receptor Antagonists
参考文献:World Intellectual Property Organization]

7379-35-3 + 1126-09-6 = 93913-86-1
反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol,Water
标题:Polymer-Bound 4-(Dialkylamino)Pyridines. Synthesis,Characterization And Catalytic Efficiency
作者:Guendouz,Farida; Jacquier,Robert; Verducci,Jean
参考文献:Tetrahedron 日期:1988 卷标:44(23) 页码:7095-108]

121912-29-6 = 93913-86-1
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6
标题:Fibrinogen Receptor Antagonists
参考文献:United States]

121912-29-6 = 93913-86-1
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; 12 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6
标题:Preparation Of N-(2-Hydroxyethoxy)Phenyl Heterocyclyl-Containing Amides As Fibrinogen Receptor Antagonist Prodrugs
参考文献:World Intellectual Property Organization]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Benzofuran Derivatives As Activated Blood Coagulation Factor X Inhibitors For Treatment Of Thrombosis
参考文献:Japan]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Fused Furan Compounds As Inhibitors Of Activated Blood Coagulation Factor X
参考文献:World Intellectual Property Organization]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Bis-Amides Of 1,2-Benzenediamines As Antithrombotic Agents
参考文献:World Intellectual Property Organization]

= 93913-86-1 [标题:Reaction Conditions
标题:Preparation Of Arginine Dipeptide Mimics As Integrin Receptor Antagonists
参考文献:World Intellectual Property Organization

📜哌啶-4-甲酸乙酯置于三乙胺,Sodium Hydroxide体系中,用乙醇,水作为反应溶剂,化学反应 120.0H,反应生成 1-吡啶-4-哌啶-4-甲酸
参考文献:具有抗凝活性的p1处带有4-(piperidin-1-Yl)吡啶的直接凝血酶抑制剂的合成及生物学评价
标题:具有抗凝活性的p1处带有4-(piperidin-1-Yl)吡啶的直接凝血酶抑制剂的合成及生物学评价
摘要:描述了一种新型的非肽类直接凝血酶抑制剂的设计和合成,该抑制剂建立在1-(吡啶-4-基)哌啶-4-羧酰胺的结构上.从显示弱的凝血酶(fiia)和xa因子(fxa)抑制活性的强碱性1-Ami基哌啶衍生物(6)开始,通过优化碱性p1和x-取代的苯基p4可显着提高抗fiia活性和人工膜通透性结合部分.结构-活性关系研究以及有用的分子建模结果使我们得以鉴定出化合物13B,该化合物表现出出色的fiia抑制作用(k I = 6 Nm),抗xa活性弱(k I= 5.64μm),并且对其他丝氨酸蛋白酶(例如胰蛋白酶)具有显着的选择性.化合物13B在低微摩尔范围内显示出体外抗凝活性,并具有显着的膜通透性.在小鼠中(离体),13B在口服给药(100 Mg.kg-1)后2 H表现出抗凝作用,与对照组相比,活化的部分凝血活酶时间(aptt)延长了43%(p <0.05).
DOI:10.1021/jm401169A