5,8-二溴异喹啉结构式
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常用名 | 5,8-二溴异喹啉 | 英文名 | 5,8-Dibromoisoquinoline |
|---|---|---|---|---|
| CAS号 | 81045-39-8 | 分子量 | 286.951 | |
| 密度 | 1.9±0.1 g/cm3 | 沸点 | 363.7±22.0 °C at 760 mmHg | |
| 分子式 | C9H5Br2N | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 173.7±22.3 °C |
| 中文名 | 5,8-二溴异喹啉 |
|---|---|
| 英文名 | 5,8-dibromoisoquinoline |
| 英文别名 | 更多 |
| 密度 | 1.9±0.1 g/cm3 |
|---|---|
| 沸点 | 363.7±22.0 °C at 760 mmHg |
| 分子式 | C9H5Br2N |
| 分子量 | 286.951 |
| 闪点 | 173.7±22.3 °C |
| 精确质量 | 284.878845 |
| PSA | 12.89000 |
| LogP | 3.53 |
| InChIKey | KNBALCRXZUTMBP-UHFFFAOYSA-N |
| SMILES | Brc1ccc(Br)c2cnccc12 |
| 外观性状 | Solid |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.699 |
| 储存条件 | 室温,干燥 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):3.5 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积:12.9 7.重原子数量:12 8.表面电荷:0 9.复杂度:163 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi |
|---|---|
| 海关编码 | 2933499090 |
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~54%
5,8-二溴异喹啉 81045-39-8 |
| 文献:LUPIN LIMITED; KUKREJA, Gagan; PHUKAN, Samiron; KODAM, Jawahar; MORE, Dattatray, Maruti; URAVANE, Mahesh, Vilas; PALLE, Venkata, P.; KAMBOJ, Rajender, Kumar Patent: WO2013/5157 A1, 2013 ; Location in patent: Page/Page column 36; 37 ; |
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~0%
5,8-二溴异喹啉 81045-39-8 |
| 文献:Rey, Max; Vergnani, Tiziana; Dreiding, Andre S. Helvetica Chimica Acta, 1985 , vol. 68, p. 1828 - 1834 |
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~%
5,8-二溴异喹啉 81045-39-8 |
| 文献:Synthesis, , # 1 p. 83 - 86 |
| 5,8-二溴异喹啉上游产品 1 | |
|---|---|
| 5,8-二溴异喹啉下游产品 0 | |
| 海关编码 | 2933499090 |
|---|---|
| 中文概述 | 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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| 5,8-Dibromisochinolin |
| 5,8-Dibromoisoquinoline |
| 5,8-dibromo-isoquinoline |