4-哌嗪苯甲酸结构式
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常用名 | 4-哌嗪苯甲酸 | 英文名 | 4-piperidinobenzoic acid |
|---|---|---|---|---|
| CAS号 | 22090-24-0 | 分子量 | 205.253 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 388.9±25.0 °C at 760 mmHg | |
| 分子式 | C12H15NO2 | 熔点 | 222 - 224ºC | |
| MSDS | N/A | 闪点 | 189.0±23.2 °C |
| 中文名 | 4-哌嗪苯甲酸 |
|---|---|
| 英文名 | 4-piperidin-1-ylbenzoic acid |
| 英文别名 | 更多 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 388.9±25.0 °C at 760 mmHg |
| 熔点 | 222 - 224ºC |
| 分子式 | C12H15NO2 |
| 分子量 | 205.253 |
| 闪点 | 189.0±23.2 °C |
| 精确质量 | 205.110275 |
| PSA | 40.54000 |
| LogP | 2.66 |
| InChIKey | DGJNUESQBVPXAY-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(N2CCCCC2)cc1 |
| 外观性状 | 灰白色 |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.580 |
| 储存条件 | 2-8°C |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 36 |
| 安全声明 (欧洲) | 26 |
| 海关编码 | 2933399090 |
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~87%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:WYETH Patent: US2006/287522 A1, 2006 ; Location in patent: Page/Page column 54 ; US 20060287522 A1 |
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~50%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 59 ; |
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~%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:WO2009/43890 A1, ; Page/Page column 55-56 ; WO 2009/043890 A1 |
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~80%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:Khuthier, Abdul-Hussain; Al-Mallah, Khawla Y.; Hanna, Salim Y.; Abdulla, Noor-Aldeen I. Journal of Organic Chemistry, 1987 , vol. 52, # 9 p. 1710 - 1713 |
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~%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:Journal of the American Chemical Society, , vol. 62, p. 2995,3001 |
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~%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:Molecular Crystals and Liquid Crystals (1969-1991), , vol. 124, p. 269 - 276 |
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~%
4-哌嗪苯甲酸 22090-24-0 |
| 文献:Chemische Berichte, , vol. 40, p. 857 |
| 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:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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-piperidylbenzoic acid |
| 4-Piperidin-1-yl-benzoic acid |
| 4-piperidine-1-ylbenzoic acid |
| 1-(4-Carboxyphenyl)piperidine |
| 4-piperidinobenzoic acid |
| 4-Piperidino-benzoesaeure |
| 4-(piperidin-1-yl)benzoic acid |
| 4-(1-Piperidinyl)-benzoic acid |
| 4-(1-Piperidinyl)benzoic acid |
| 4-piperidin-1-ylbenzoic acid |
| MFCD00587602 |