2-[3-氯-5-(三氟甲基)吡啶基]丙二酸二甲酯结构式
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常用名 | 2-[3-氯-5-(三氟甲基)吡啶基]丙二酸二甲酯 | 英文名 | 2-[3-Chloro-5-(trifluoromethyl)pyridinyl]-malonic acid dimethylester |
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| CAS号 | 477859-76-0 | 分子量 | 311.64200 | |
| 密度 | 1.428±0.06 g/cm3 | 沸点 | 299.6±35.0 °C | |
| 分子式 | C11H9ClF3NO4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 2-(3-氯-5-三氟甲基吡啶)-丙二酸二甲酯 |
|---|---|
| 英文名 | dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate |
| 英文别名 | 更多 |
| 密度 | 1.428±0.06 g/cm3 |
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| 沸点 | 299.6±35.0 °C |
| 分子式 | C11H9ClF3NO4 |
| 分子量 | 311.64200 |
| 精确质量 | 311.01700 |
| PSA | 65.49000 |
| LogP | 2.18340 |
| InChIKey | HITBMJZLAOGWTA-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C(=O)OC)c1ncc(C(F)(F)F)cc1Cl |
| 储存条件 | 2-8°C |
| 风险声明 (欧洲) | 36/37/38 |
|---|---|
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2933399090 |
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~86%
2-[3-氯-5-(三氟甲基)... 477859-76-0 |
| 文献:Lhermitte, Frederic; Coqueron, Pierre-Yves; Desbordes, Philippe; HImmler, Thomas Patent: US2008/86008 A1, 2008 ; Location in patent: Page/Page column 13 ; |
| 2-[3-氯-5-(三氟甲基)吡啶基]丙二酸二甲酯上游产品 2 | |
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| 2-[3-氯-5-(三氟甲基)吡啶基]丙二酸二甲酯下游产品 0 | |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 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 | 2933399090. other compounds containing an unfused pyridine 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: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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| HMS2695A16 |
| dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate |
| 3-chloro-5-trifluoromethyl-2-pyridylmalonic acid dimethyl ester |