CAS: 885521-88-0; 6-Bromo-3-Iodo-1H-Indazole

该化合物是一种环环状有机化合物,其特点是由诱导苯和环组成的异氮核心.在6个和3个位置分别存在溴和碘替代成分,这增强了其在各个领域,包括药用化学和物质科学领域的回活动性和潜在应用.这种化合物一般在有机溶剂中表现出中等溶解性,由于其疏水性,水溶解性可能有限.其分子结构允许与生物目标发生潜在互动,从而引起对......

英文名称6-Bromo-3-Iodo-1H-Indazole
中文名称3-碘-6-溴吲唑
IUPAC名称6-bromo-3-iodo-1H-indazole
其它别名6-BROMO-3-IODO (1H)INDAZOLE; 1H-INDAZOLE, 6-BROMO-3-IODO-; 3-Iodo-6-BroMoindazole
CAS编号885521-88-0
MFCD编号:MFCD07781599
EINECS号:851-054-4
分子式:C7H4BrIN2
分子量:322.93
产品CID: 1899414
产品分类有机原料 → 杂环化合物

相似结构搜索
InChIKey: POXUFQBYDQCUFO-UHFFFAOYSA-N
InChI=1S/C7H4BrIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)…
计算化学: 氢键受体数1.0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P280-P305+P351+P338

欧盟法规

C&L通报

上下游产品

CAS号79762-54-2 6-溴吲唑

合成工艺路线路线简述

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Hydroxide,Iodine Solvents: Dimethylformamide,Water; 3 H,Rt
标题:Synthesis And Biological Evaluation Of Indazole Derivatives As Anti-Cancer Agents
作者:Wei,Wei; Liu,Zhihao; Wu,Xiuli; Gan,Cailing; Su,Xingping; Et Al
参考文献:Rsc Advances 日期:2021 卷标:11(26) 页码:15675-15687]

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Hydroxide,Iodine Solvents: Dimethylformamide; 0 °C; 4 H,Rt1.2 Reagents: Ammonia Solvents: Water; Rt
标题:Design,Synthesis And Biological Evaluation Of Novel 2-(4-(1H-Indazol-6-Yl)-1H-Pyrazol-1-Yl)Acetamide Derivatives As Potent Vegfr-2 Inhibitors
作者:Wang,Xing-Rong; Wang,Shuai; Li,Wen-Bo; Xu,Kai-Yan; Qiao,Xue-Peng; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:213]

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 0 °C; 5 Min,0 °C1.2 Reagents: Iodine Solvents: Tetrahydrofuran; 0 °C; 30 Min,Rt
标题:Indazole-Based Covalent Inhibitors To Target Drug-Resistant Epidermal Growth Factor Receptor
作者:Tomassi,Stefano; Lategahn,Jonas; Engel,Julian; Keul,Marina; Tumbrink,Hannah L.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(6) 页码:2361-2372]

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Hydroxide,Iodine Solvents: Dimethylformamide; Rt
标题:A Novel Series Of Indazole-/indole-Based Glucagon Receptor Antagonists
作者:Lin,Songnian; Zhang,Fengqi; Jiang,Guoqiang; Qureshi,Sajjad A.; Yang,Xiaodong; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(19) 页码:4143-4147]

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Hydroxide,Iodine Solvents: Dimethylformamide
标题:3-(Indol-2-Yl)Indazoles As Chek1 Kinase Inhibitors: Optimization Of Potency And Selectivity Via Substitution At C6
作者:Fraley,Mark E.; Steen,Justin T.; Brnardic,Edward J.; Arrington,Kenneth L.; Spencer,Keith L.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2006 卷标:16(23) 页码:6049-6053]

79762-54-2 = 885521-88-0
反应条件:1.1 Reagents: Potassium Hydroxide,Iodine Solvents: Dimethylformamide; Rt; 1 - 2 H,Rt1.2 Reagents: Water; Rt1.3 Reagents: Sodium Thiosulfate; Neutralized,Rt
标题:Design,Synthesis And Biological Evaluation Of 3,5-Dimethylisoxazole And Pyridone Derivatives As Brd4 Inhibitors
作者:Rong,Juan; Feng,Zhan-Zhan; Shi,Yao-Jie; Ren,Jing; Xu,Ying; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2019 卷标:29(19)

5-溴-2-甲基苯胺置于氢氧化钾,氟硼酸钠,碘,Sodium Nitrite体系中,用 N,N-二甲基甲酰胺作为反应溶剂,化学反应生成 3-碘-6-溴吲唑
参考文献:3-(Indol-2-yl)Indazoles As Chek1 Kinase Inhibitors: Optimization Of Potency And Selectivity Via Substitution At C6
标题:3-(Indol-2-yl)Indazoles As Chek1 Kinase Inhibitors: Optimization Of Potency And Selectivity Via Substitution At C6
摘要:The Development Of 3-(Indol-2-yl)Indazoles As Inhibitors Of Chek1 Kinase Is Described. Introduction Of Amides And Heteroaryl Groups At The C6 Position Of The Indazole Ring System Provided Sufficient Chek1 Potency And Selectivity Over Cdk7 To Permit Escape From Dna Damage-Induced Arrest In A Cellular Assay. Enzyme Potency Against Chek1 Was Optimized By The Incorporation Of A Hydroxymethyl Triazole Moiety In Compound 21 (Chek1 Ic(50)=0.30Nm) That Was Shown By X-Ray Crystallography To Displace One Of Three Highly Conserved Water Molecules In The Hi Region Of The Atp-Binding Cleft.
DOI:10.1016/j.Bmcl.2006.08.118