4-(丙-2-炔氨基)苯甲酸乙酯结构式
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常用名 | 4-(丙-2-炔氨基)苯甲酸乙酯 | 英文名 | Benzoic acid, 4-(2-propynylamino)-, ethyl ester (9CI) |
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| CAS号 | 101248-36-6 | 分子量 | 203.237 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 342.8±27.0 °C at 760 mmHg | |
| 分子式 | C12H13NO2 | 熔点 | 78℃ | |
| MSDS | N/A | 闪点 | 161.1±23.7 °C |
| 中文名 | 4-(2-丙炔-1-氨基)苯甲酸乙酯 |
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| 英文名 | Ethyl 4-(2-propyn-1-ylamino)benzoate |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 342.8±27.0 °C at 760 mmHg |
| 熔点 | 78℃ |
| 分子式 | C12H13NO2 |
| 分子量 | 203.237 |
| 闪点 | 161.1±23.7 °C |
| 精确质量 | 203.094635 |
| PSA | 38.33000 |
| LogP | 2.84 |
| InChIKey | KOEHTGGSAVSLRS-UHFFFAOYSA-N |
| SMILES | C#CCNc1ccc(C(=O)OCC)cc1 |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.573 |
| 储存条件 | 室温 |
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~%
4-(丙-2-炔氨基)苯甲酸乙酯 101248-36-6 |
| 文献:Journal of Medicinal Chemistry, , vol. 29, p. 1754 - 1760 |
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~63%
4-(丙-2-炔氨基)苯甲酸乙酯 101248-36-6 |
| 文献:Journal of Medicinal Chemistry, , vol. 29, # 7 p. 1263 - 1269 |
| 4-(丙-2-炔氨基)苯甲酸乙酯上游产品 3 | |
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| 4-(丙-2-炔氨基)苯甲酸乙酯下游产品 2 | |
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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:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
来源:24386
靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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| 4-prop-2-ynylamino-benzoic acid ethyl ester |
| ethyl 4-bromomethyl-benzoate |
| ethyl p-(bromomethyl)benzoate |
| Ethyl 4-(2-propyn-1-ylamino)benzoate |
| 4-Prop-2-inylamino-benzoesaeure-aethylester |
| 4-carboethoxybenzyl bromide |
| 4-Bromomethyl-benzoic acid ethyl ester |
| N-propargyl-p-aminobenzoate |
| Benzoic acid, 4-(2-propyn-1-ylamino)-, ethyl ester |
| ethyl p-(N-propargylamino)benzoate |
| 4-carbethoxybenzyl bromide |
| ethyl 4-(prop-2-ynylamino)benzoate |
| Benzoicacid,4-(2-propynylamino)-,ethylester(9CI) |