CAS: 876343-10-1; 4-Chloro-6-Iodo-7H-Pyrrolo[2,3-D]Pyrimidine

该化合物是热循环化合物,其特点是有引信的火花和火礼环,具有独特的化学特性.氯和碘替代成分的存在会增加其活性和潜在的生物活动.这种化合物通常在有机溶剂中表现出中等溶解性,其结构可能会影响其与生物目标的相互作用,使其对药用化学和药物开发感兴趣.卤素替代成分还可能影响化合物的电子特性,有可能增强它参与各种化学反应的能力,例如核循环替代或混合反应.此外,该化合物的分子结构可能会产生特定的药效特性,使其成为进一步研究治疗应用的候选条件.与许多乙型循环一样,4-氯-6-io-io-7H-pyrolo-pyrrolo的稳定性和再活性可以受到诸如pH和温度等环境因素的影响,这些环境因素是实验室和工业环境中的重要因素.

英文名称4-Chloro-6-Iodo-7H-Pyrrolo[2,3-D]Pyrimidine
中文名称4-氯-6-碘-7H-吡咯并[2,3-d]嘧啶
IUPAC名称4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
其它别名4-Chloro-6-Iodo-7H-Pyrrolo[2,3-D]Pyrimidine; 1H-Pyrrolo[2,3-D]Pyrimidine, 4-Chloro-6-Iodo-; Dxpvkzyvqanedw-Uhfffaoysa-N
CAS编号876343-10-1
MFCD编号:MFCD11518919
EINECS号:837-993-2
分子式:C6H3ClIN3
分子量:279.47
产品CID: 1884438
产品分类医药中间体 → 嘧啶类化合物

相似结构搜索
InChIKey: DXPVKZYVQANEDW-UHFFFAOYSA-N
InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

MSDS等安全信息

GHS符号GHS07
危险类别急性毒性类别4(经口)
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2A
警示词Warning
危险描述H302 |吞咽有害.
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-P305+P351+P338
危险品标志Xi
安全声明H303+H313+H333

欧盟法规

C&L通报

上下游产品

7-(benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine Allopurinol 7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine 7-deazahypoxanthine 4-[4-(3-amino-5-fluoro-2-methyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide

合成工艺路线路线简述

合成目标产物 4-Chloro-6-Iodo-7H-Pyrrolo[2,3-D]Pyrimidine 主要起始原料 4-Chloro-6-Iodo-7-Phenylsulfonyl-7H-Pyrrolo[2,3-D]Pyrimidine
3680-69-1 = 876343-10-1 [标题:Reaction Conditions
标题:Pyrrolo[2,3-D]Pyrimidine Derivatives As Inhibitors Of Ret: Design,Synthesis And Biological Evaluation
作者:Lakkaniga,Naga Rajiv; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2020 卷标:206]

3680-69-1 = 876343-10-1
反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 20 Min,0 °C; 30 Min,0 °C1.2 0 °C -> Rt; 1 H,Rt1.3 Solvents: Water; Rt2.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1.5 H,-78 °C2.2 Reagents: Iodine Solvents: Tetrahydrofuran; -78 °C; 3 H,-78 °C2.3 Solvents: Water3.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran; 30 Min,Rt3.2 Reagents: Ammonium Chloride Solvents: Water; Rt
标题:Combating Drug-Resistant Mutants Of Anaplastic Lymphoma Kinase With Potent And Selective Type-I1/2 Inhibitors By Stabilizing Unique Dfg-Shifted Loop Conformation
作者:Pan,Peichen; Et Al
参考文献:Acs Central Science 日期:2017 卷标:3(11) 页码:1208-1220]

876343-09-8 = 876343-10-1
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran; 30 Min,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
标题:Combating Drug-Resistant Mutants Of Anaplastic Lymphoma Kinase With Potent And Selective Type-I1/2 Inhibitors By Stabilizing Unique Dfg-Shifted Loop Conformation
作者:Pan,Peichen; Et Al
参考文献:Acs Central Science 日期:2017 卷标:3(11) 页码:1208-1220]

876343-09-8 = 876343-10-1
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 1 H,Rt
标题:Identification Of New 4-N-Substituted 6-Aryl-7H-Pyrrolo[2,3-D]Pyrimidine-4-Amines As Highly Potent Egfr-Tk Inhibitors With Src-Family Activity
作者:Kaspersen,Svein Jacob; Et Al
参考文献:European Journal Of Pharmaceutical Sciences 日期:2014 卷标:59 页码:69-82]

876343-09-8 = 876343-10-1
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 2 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
标题:Balancing Potency,Metabolic Stability And Permeability In Pyrrolopyrimidine-Based Egfr Inhibitors
作者:Han,Jin; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2016 卷标:124 页码:583-607]

186519-89-1 = 876343-10-1
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1.5 H,-78 °C1.2 Reagents: Iodine Solvents: Tetrahydrofuran; -78 °C; 3 H,-78 °C1.3 Solvents: Water2.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran; 30 Min,Rt2.2 Reagents: Ammonium Chloride Solvents: Water; Rt
标题:Combating Drug-Resistant Mutants Of Anaplastic Lymphoma Kinase With Potent And Selective Type-I1/2 Inhibitors By Stabilizing Unique Dfg-Shifted Loop Conformation
作者:Pan,Peichen; Et Al
参考文献:Acs Central Science 日期:2017 卷标:3(11) 页码:1208-1220]

3680-71-5 = 876343-10-1
反应条件:1.1 Reagents: Phosphorus Oxychloride; 6 H,Rt -> 90 °C1.2 Reagents: Water; Cooled1.3 Reagents: Sodium Hydroxide; Ph 122.1 Reagents: Sodium Tert-Butoxide Solvents: Tetrahydrofuran; Rt -> 10 °C2.2 2 H,22 °C2.3 Reagents: Water; 10 Min,22 °C3.1 Reagents: Lithium Diisopropylamide Solvents: Ethylbenzene,Tetrahydrofuran,Heptane; 30 Min,-78 °C; 1 H,-78 °C3.2 Reagents: Iodine Solvents: Tetrahydrofuran; 30 Min,-78 °C; 1 H,-78 °C3.3 Reagents: Hydrochloric Acid Solvents: Water; 22 °C4.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 1 H,Rt
标题:Identification Of New 4-N-Substituted 6-Aryl-7H-Pyrrolo[2,3-D]Pyrimidine-4-Amines As Highly Potent Egfr-Tk Inhibitors With Src-Family Activity
作者:Kaspersen,Svein Jacob; Et Al
参考文献:European Journal Of Pharmaceutical Sciences 日期:2014 卷标:59 页码:69-82

4-羟基吡咯并[2,3-D]嘧啶置于甲醇,Sodium Hydroxide,Sodium T-Butanolate,Lithium Diisopropyl Amide,三氯氧磷体系中,用四氢呋喃,正庚烷,乙基苯作为反应溶剂,化学反应 11.0H,反应生成 4-氯-6-碘-7H-吡咯并[2,3-D]嘧啶
参考文献: 4-Amino-6-Aryl[2,3-D]Pyrimidines For The Inhibition Of Egfr Tyrosine Kinase[fr] 4-Amino-6-Aryl[2,3-D]Pyrimidines Pour L'Inhibition De La Tyrosine Kinase Au Niveau De L'Egfr
标题: 4-Amino-6-Aryl[2,3-D]Pyrimidines For The Inhibition Of Egfr Tyrosine Kinase[fr] 4-Amino-6-Aryl[2,3-D]Pyrimidines Pour L'Inhibition De La Tyrosine Kinase Au Niveau De L'Egfr
摘要:这项发明涉及某些新的吡咯基,噻吩基和呋喃基[2,3-D]嘧啶化合物,如一般式(I)所示.这些化合物是表皮生长因子受体酪氨酸激酶抑制剂,因此在癌症治疗中具有潜力.

专利信息

专利号:US-12441733-B2
优先权日:2018-03-26
标题:Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors
发明人：ARISTA LUCA; HEBACH CHRISTINA; HOLLINGWORTH GREGORY JOHN; HOLZER PHILIPP; IMBACH-WEESE PATRICIA; LORBER JULIEN; MACHAUER RAINER; SCHMIEDEBERG NIKO; VULPETTI ANNA; ZOLLER THOMAS
权利人:NOVARTIS AG
摘要:The invention relates to compounds of the formulae (I), (III), (IIIa), (XXIa), (XXIII), and/or (XLVI)or a pharmaceutically acceptable salt thereof, wherein the substituents are as defined in the specification; to intermediates in the preparation of the compounds, to pharmaceutical compositions comprising the compounds and to use of the compounds in the treatment of disease.