4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺结构式
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常用名 | 4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺 | 英文名 | 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenylamine |
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| CAS号 | 123066-64-8 | 分子量 | 295.184 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 298.4±40.0 °C at 760 mmHg | |
| 分子式 | C11H7F6N3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 134.3±27.3 °C |
4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺用途CRAC intermediate 2是摘自专利WO 2013059666A1中用于CRAC系列抑制剂合成的中间体。 |
| 中文名 | 4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺 |
|---|---|
| 英文名 | 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenylamine |
| 中文别名 | 4-(3,5-双(三氟甲基)-1H-吡唑-1-基)苯胺 |
| 英文别名 | 更多 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 298.4±40.0 °C at 760 mmHg |
| 分子式 | C11H7F6N3 |
| 分子量 | 295.184 |
| 闪点 | 134.3±27.3 °C |
| 精确质量 | 295.054413 |
| PSA | 43.84000 |
| LogP | 3.06 |
| InChIKey | XOXBUERZFCPKDR-UHFFFAOYSA-N |
| SMILES | Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.506 |
| 储存条件 | 2-8°C |
| 危害码 (欧洲) | Xi |
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| 海关编码 | 2933199090 |
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~95%
4-(3,5-双(三氟甲基)-... 123066-64-8 |
| 文献:Obermayer, David; Glasnov, Toma N.; Kappe, C. Oliver Journal of Organic Chemistry, 2011 , vol. 76, # 16 p. 6657 - 6669 |
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4-(3,5-双(三氟甲基)-... 123066-64-8 |
| 文献:Journal of Medicinal Chemistry, , vol. 43, # 16 p. 2975 - 2981 |
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~%
4-(3,5-双(三氟甲基)-... 123066-64-8 |
| 文献:Journal of Medicinal Chemistry, , vol. 43, # 16 p. 2975 - 2981 |
|
~%
4-(3,5-双(三氟甲基)-... 123066-64-8 |
| 文献:Journal of Organic Chemistry, , vol. 76, # 16 p. 6657 - 6669 |
|
~%
4-(3,5-双(三氟甲基)-... 123066-64-8 |
| 文献:Journal of Organic Chemistry, , vol. 76, # 16 p. 6657 - 6669 |
| 4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺上游产品 5 | |
|---|---|
| 4-(3,5-双(三氟甲基)-1H-吡唑-1-基)-苯胺下游产品 0 | |
| 海关编码 | 2933199090 |
|---|---|
| 中文概述 | 2933199090. 其他结构上有非稠合吡唑环化合物. 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 | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. 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:Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (...
来源:NCGC
External Id:IP6K1-p1
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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:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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| 4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]aniline |
| 4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline |
| 4-[3,5-di(trifluoromethyl)-1H-pyrazol-1-yl]aniline |
| CRAC intermediate 2 |