4-([1,1'-联苯]-4-基)噻唑-2-胺结构式
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常用名 | 4-([1,1'-联苯]-4-基)噻唑-2-胺 | 英文名 | 4-biphenyl-4-yl-thiazol-2-ylamine |
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| CAS号 | 2834-79-9 | 分子量 | 252.33400 | |
| 密度 | 1.23 g/cm3 | 沸点 | 489ºC at 760 mmHg | |
| 分子式 | C15H12N2S | 熔点 | 129-132 °C(lit.) | |
| MSDS | N/A | 闪点 | 249.5ºC |
4-([1,1'-联苯]-4-基)噻唑-2-胺用途有机合成。 |
| 中文名 | 2-氨基-4-(4-联苯基)噻唑 |
|---|---|
| 英文名 | 4-(4-phenylphenyl)-1,3-thiazol-2-amine |
| 中文别名 | 4-联苯-4-噻唑-2-胺 |
| 英文别名 | 更多 |
| 密度 | 1.23 g/cm3 |
|---|---|
| 沸点 | 489ºC at 760 mmHg |
| 熔点 | 129-132 °C(lit.) |
| 分子式 | C15H12N2S |
| 分子量 | 252.33400 |
| 闪点 | 249.5ºC |
| 精确质量 | 252.07200 |
| PSA | 67.15000 |
| LogP | 4.64050 |
| InChIKey | HTAUVJPDFDVVHV-UHFFFAOYSA-N |
| SMILES | Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 |
| 蒸汽压 | 1.04E-09mmHg at 25°C |
| 折射率 | 1.665 |
| 储存条件 | 密封避光保存。 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):3.9 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积67.2 7.重原子数量:18 8.表面电荷:0 9.复杂度:257 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 |
| 更多 | 1. 性状:无色粉末。 2. 密度(g/mL,25/4℃): 未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):206-208 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5.2kPa):未确定 7. 折射率:未确定 8. 闪点(ºC):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(kPa,25ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:溶于乙醇和乙醚,不溶于水。 |
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~86%
4-([1,1'-联苯]-4-... 2834-79-9 |
| 文献:Hanke, Thomas; Dehm, Friederike; Liening, Stefanie; Popella, Sven-Desiderius; MacZewsky, Jonas; Pillong, Max; Kunze, Jens; Weinigel, Christina; Barz, Dagmar; Kaiser, Astrid; Wurglics, Mario; Laemmerhofer, Michael; Schneider, Gisbert; Sautebin, Lidia; Schubert-Zsilavecz, Manfred; Werz, Oliver Journal of Medicinal Chemistry, 2013 , vol. 56, # 22 p. 9031 - 9044 |
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~%
4-([1,1'-联苯]-4-... 2834-79-9 |
| 文献:King; Hlavacek Journal of the American Chemical Society, 1950 , vol. 72, p. 3722 |
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~%
4-([1,1'-联苯]-4-... 2834-79-9 |
| 文献:Yin, Guodong; Ma, Junrui; Shi, Houqiang; Tao, Qing Heterocycles, 2012 , vol. 85, # 8 p. 1941 - 1948 |
| 海关编码 | 2934100090 |
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| 中文概述 | 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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 |
| Summary | 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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| 4-Biphenyl-4-ylthiazol-2-ylamine |
| 2-amino-4-(4-biphenyl)thiazole |
| 4-(biphenyl-4-yl)-1,3-thiazol-2-amine |
| F0777-1464 |
| 4-(biphenyl-4-yl)thiazol-2-amine |
| 2-Amino-4-(4-biphenylyl)thiazole |
| 4-([1,1'-biphenyl]-4-yl)thiazol-2-amine |
| 4-Biphenyl-4-yl-thiazol-2-ylamin |
| 4-(1,1'-biphenyl)-4-yl-2-thiazolamine |
| USAF EK-4373 |
| MFCD00047059 |
| 4-(1,1'-biphenyl-4-yl)-1,3-thiazol-2-amine |
| Thiazole,2-amino-4-(4-biphenylyl) |