5-(苯氧基甲基)-4-苯基-4H-1,2,4-三唑-3-硫醇结构式
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常用名 | 5-(苯氧基甲基)-4-苯基-4H-1,2,4-三唑-3-硫醇 | 英文名 | 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL |
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| CAS号 | 21358-13-4 | 分子量 | 283.34800 | |
| 密度 | 1.26g/cm3 | 沸点 | 413.3ºC at 760 mmHg | |
| 分子式 | C15H13N3OS | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 203.7ºC |
| 中文名 | 5-(苯氧基甲基)-4-苯基-4H-1,2,4-三唑-3-硫醇 |
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| 英文名 | 3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione |
| 英文别名 | 更多 |
| 密度 | 1.26g/cm3 |
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| 沸点 | 413.3ºC at 760 mmHg |
| 分子式 | C15H13N3OS |
| 分子量 | 283.34800 |
| 闪点 | 203.7ºC |
| 精确质量 | 283.07800 |
| PSA | 78.74000 |
| LogP | 3.13500 |
| InChIKey | CQOIKLYYYATDDP-UHFFFAOYSA-N |
| SMILES | S=c1[nH]nc(COc2ccccc2)n1-c1ccccc1 |
| 蒸汽压 | 4.86E-07mmHg at 25°C |
| 折射率 | 1.661 |
| 危害码 (欧洲) | Xi: Irritant; |
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| 海关编码 | 2933990090 |
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~94%
5-(苯氧基甲基)-4-苯基-... 21358-13-4 |
| 文献:Kochikyan; Samvelyan; Arutyunyan; Avetisyan; Tamazyan; Aivazyan Russian Journal of Organic Chemistry, 2010 , vol. 46, # 4 p. 551 - 555 |
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~%
5-(苯氧基甲基)-4-苯基-... 21358-13-4 |
| 文献:Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450 |
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~%
5-(苯氧基甲基)-4-苯基-... 21358-13-4 |
| 文献:Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450 |
|
~%
5-(苯氧基甲基)-4-苯基-... 21358-13-4 |
| 文献:Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450 |
|
~%
5-(苯氧基甲基)-4-苯基-... 21358-13-4 |
| 文献:Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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 | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . 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: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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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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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| 5-Phenoxymethyl-4-phenyl-4H |
| 5-phenoxymethyl-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione |
| 4-phenyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiol |
| 5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazole-3-thiol |
| 5-Phenoxymethyl-4-phenyl-3-mercapto-triazol |