5-氨基-1-甲苯-1H-吡唑-4-甲腈结构式
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常用名 | 5-氨基-1-甲苯-1H-吡唑-4-甲腈 | 英文名 | 5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile |
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| CAS号 | 103646-82-8 | 分子量 | 198.22400 | |
| 密度 | 1.23 g/cm3 | 沸点 | 405.6ºC at 760 mmHg | |
| 分子式 | C11H10N4 | 熔点 | 116-120ºC | |
| MSDS | N/A | 闪点 | 199.1ºC |
| 中文名 | 5-氨基-1-甲苯-1H-吡唑-4-甲腈 |
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| 英文名 | 5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile |
| 中文别名 | 5-氨基-1-(4-甲基苯基)-1H-吡唑-4-甲腈 |
| 英文别名 | 更多 |
| 密度 | 1.23 g/cm3 |
|---|---|
| 沸点 | 405.6ºC at 760 mmHg |
| 熔点 | 116-120ºC |
| 分子式 | C11H10N4 |
| 分子量 | 198.22400 |
| 闪点 | 199.1ºC |
| 精确质量 | 198.09100 |
| PSA | 67.63000 |
| LogP | 2.21578 |
| InChIKey | MJQOLPWOOIMZDA-UHFFFAOYSA-N |
| SMILES | Cc1ccc(-n2ncc(C#N)c2N)cc1 |
| 外观性状 | 固体;White to Orange to Green powder to crystal |
| 蒸汽压 | 8.67E-07mmHg at 25°C |
| 折射率 | 1.651 |
| 储存条件 | 存放于惰性气体之中;避免空气 |
| 危害码 (欧洲) | Xi: Irritant; |
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| 海关编码 | 2933199090 |
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5-氨基-1-甲苯-1H-吡唑-4-甲腈 103646-82-8 |
| 文献:Heterocyclic Communications, , vol. 11, # 5 p. 385 - 388 |
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5-氨基-1-甲苯-1H-吡唑-4-甲腈 103646-82-8 |
| 文献:US2007/161662 A1, ; |
| 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: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:Inhibition of xanthine oxidase
来源:ChEMBL
靶标:Xanthine dehydrogenase/oxidase
External Id:CHEMBL973239
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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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| 5-amino-1-(4-methylphenyl)pyrazole-4-carbonitrile |
| MFCD00052944 |