CAS: 83942-13-6; 4-Chloro-6,7-Dihydro-5H-Cyclopentapyrimidine
该化合物是一种环球循环化合物,其特点是环球开丙烷-基核,在4位中具有替代氯的替代成分,这一结构是有机合成的多用途中间体,特别是在制药和农用化学的开发中.它的活性氯组通过核生殖替代使高效功能化,而环球环球基脚架则具有僵硬性和进一步衍生的潜力.该化合物的稳定性和明确界定的再活性特征使它适合医药化学的应用,包括活性抑制剂和其他生物活性分子的合成.它的纯度和一贯性能对于研究和工业环境中的再生效果至关重要.
- 英文名称4-Chloro-6,7-Dihydro-5H-Cyclopentapyrimidine
- 中文名称4-氯-6,7-二氢-5H-环戊并嘧啶
- IUPAC名称4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
- 其它别名4-氯-6,7-二氢-5H-环戊a嘧啶; 4-Chloro-6,7-Dihydro-5H-Cyclopentapyrimidine
- CAS编号83942-13-6
- MFCD编号:MFCD12755922
- EINECS号:815-926-8
- 分子式:C7H7ClN2分子量:154.6
- 产品CID: 1827782
- 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物
相似化合物
5466-43-3 118802-40-7 1030377-43-5物理性质
MSDS等安全信息
欧盟法规
C&L通报上下游产品
CAS号5661-01-8 1,5,6,7-四氢环戊并[d... | CAS号10472-24-9 2-氧代环戊烷羧酸甲酯 | CAS号52909-60-1 (9ci)-2-氨基-1-环戊... | CAS号6014-10-4 2,4-diazabicycl...合成工艺路线路线简述
- 2941-23-3 = 83942-13-6
反应条件:1.1 Reagents: Acetic Anhydride; 30 Min,0 °C1.2 48 H,130 °C2.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux2.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:3D-Qsar Pharmacophore Modelling,Virtual Screening And Docking Studies For Lead Discovery Of A Novel Scaffold For Vegfr 2 Inhibitors: Design,Synthesis And Biological Evaluation
作者:Sobhy,Mahitab K.; Et Al
参考文献:Bioorganic Chemistry 日期:2019 卷标:89]
10472-24-9 = 83942-13-6
反应条件:1.1 Reagents: Ammonium Formate Solvents: Methanol; 24 H,Reflux2.1 Solvents: Acetic Anhydride; Cooled; 4 H,Rt3.1 Reagents: Ammonium Formate Solvents: Formamide; 4 H,150 °C4.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux; Cooled4.2 Reagents: Ammonium Hydroxide; Neutralized,Cooled
标题:Structure-Activity Relationship And In Vitro And In Vivo Evaluation Of The Potent Cytotoxic Anti-Microtubule Agent N-(4-Methoxyphenyl)-N,2,6-Trimethyl-6,7-Dihydro-5H-Cyclopenta[d]Pyrimidin-4-Aminium Chloride And Its Analogues As Antitumor Agents
作者:Gangjee,Aleem; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(17) 页码:6829-6844]
5661-01-8 = 83942-13-6
反应条件:1.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux1.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:3D-Qsar Pharmacophore Modelling,Virtual Screening And Docking Studies For Lead Discovery Of A Novel Scaffold For Vegfr 2 Inhibitors: Design,Synthesis And Biological Evaluation
作者:Sobhy,Mahitab K.; Et Al
参考文献:Bioorganic Chemistry 日期:2019 卷标:89]
5661-01-8 = 83942-13-6
反应条件:1.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux; Cooled1.2 Reagents: Ammonium Hydroxide; Neutralized,Cooled
标题:Structure-Activity Relationship And In Vitro And In Vivo Evaluation Of The Potent Cytotoxic Anti-Microtubule Agent N-(4-Methoxyphenyl)-N,2,6-Trimethyl-6,7-Dihydro-5H-Cyclopenta[d]Pyrimidin-4-Aminium Chloride And Its Analogues As Antitumor Agents
作者:Gangjee,Aleem; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(17) 页码:6829-6844]
1452392-78-7 = 83942-13-6
反应条件:1.1 Reagents: Ammonium Formate Solvents: Formamide; 4 H,150 °C2.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux; Cooled2.2 Reagents: Ammonium Hydroxide; Neutralized,Cooled
标题:Structure-Activity Relationship And In Vitro And In Vivo Evaluation Of The Potent Cytotoxic Anti-Microtubule Agent N-(4-Methoxyphenyl)-N,2,6-Trimethyl-6,7-Dihydro-5H-Cyclopenta[d]Pyrimidin-4-Aminium Chloride And Its Analogues As Antitumor Agents
作者:Gangjee,Aleem; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(17) 页码:6829-6844]
= 83942-13-6
反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; Rt; 15 H,Reflux2.1 Reagents: Acetic Anhydride; 30 Min,0 °C2.2 48 H,130 °C3.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux3.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:3D-Qsar Pharmacophore Modelling,Virtual Screening And Docking Studies For Lead Discovery Of A Novel Scaffold For Vegfr 2 Inhibitors: Design,Synthesis And Biological Evaluation
作者:Sobhy,Mahitab K.; Et Al
参考文献:Bioorganic Chemistry 日期:2019 卷标:89]
52909-60-1 = 83942-13-6
反应条件:1.1 Solvents: Acetic Anhydride; Cooled; 4 H,Rt2.1 Reagents: Ammonium Formate Solvents: Formamide; 4 H,150 °C3.1 Reagents: Phosphorus Oxychloride; 3 H,Reflux; Cooled3.2 Reagents: Ammonium Hydroxide; Neutralized,Cooled
标题:Structure-Activity Relationship And In Vitro And In Vivo Evaluation Of The Potent Cytotoxic Anti-Microtubule Agent N-(4-Methoxyphenyl)-N,2,6-Trimethyl-6,7-Dihydro-5H-Cyclopenta[d]Pyrimidin-4-Aminium Chloride And Its Analogues As Antitumor Agents
作者:Gangjee,Aleem; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(17) 页码:6829-6844
📜1,5,6,7-四氢环戊并[d]嘧啶-4-酮置于三氯氧磷体系中,化学反应 3.0H,以76%的收率获得产物4-氯-6,7-二氢-5H-环戊并嘧啶
参考文献:3D-Qsar药效团建模,虚拟筛选和对接研究,用于发现新型vegfr 2抑制剂支架:设计,合成和生物学评估.
标题:3D-Qsar药效团建模,虚拟筛选和对接研究,用于发现新型vegfr 2抑制剂支架:设计,合成和生物学评估.
摘要:成功设计,合成和评估了一系列新颖的6,7-二氢-5H-环戊[d]嘧啶衍生物,作为具有血管内皮生长因子受体(vegfr 2)抑制活性的新型化学支架.化合物6C和6B在10 µm时分别显示97%和87%的酶抑制,并显示出有效的剂量相关vegfr 2抑制,Ic50值分别为0.85 µm和2.26 µm.6,7-二氢-5H-环戊[d]嘧啶骨架的设计是通过连续的分子建模方案进行的,然后进行衍生物的合成和生物学评估.首先,将索拉非尼停靠在vegfr 2的结合位点以研究其结合方向和亲和力,然后反应生成有效的3D Qsar药效团模型,用于虚拟筛选不同的3D数据库.通过在vegfr 2的结合位点进行分子对接研究,对具有前景的基于药效团的虚拟筛选结果的结构进行了改进.通过结合药效团模型反应生成和分子对接研究的结果,设计了一种新型支架.新的支架显示出与激酶前袋的疏水相互作用,这可能归因于在vegfr 2中的停留时间增加
DOI:10.1016/j.Bioorg.2019.102988
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📌 第三方产品分析报告
主要参考文献
参考标题:Synthesis Of 3-Azabicyclo[3.2.0]Heptane-Derived Building Blocks Via [3+2] Cycloaddition作者:Anton A. Homon,Oleksandr V. Hryshchuk,Serhii Trofymchuk,Oleg Michurin,Yuliya Kuchkovska,Dmytro S. Radchenko,Oleksandr O. Grygorenko |发布日期:2018.11.1
摘要:Synthesis Of 3‐azabicyclo[3.2.0]Heptane‐derived Building Blocks Via [3+2]Cycloaddition Of Cyclobutene‐1‐carboxylate And Azomethine Ylide Is Described. It Is Shown That The Title Bicyclic Scaffold Is A Three‐dimensional Template Which Is Well‐compatible With Lead‐oriented Parallel Synthesis.
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