2-O-ethyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate结构式
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常用名 | 2-O-ethyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | 英文名 | 2-O-ethyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
|---|---|---|---|---|
| CAS号 | 21898-57-7 | 分子量 | 225.24100 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C11H15NO4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 2-O-ethyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 分子式 | C11H15NO4 |
|---|---|
| 分子量 | 225.24100 |
| 精确质量 | 225.10000 |
| PSA | 68.39000 |
| LogP | 1.59480 |
| InChIKey | ZMFJOSFCIPKJCH-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1[nH]c(C)c(C(=O)OC)c1C |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~78%
2-O-ethyl 4-O-m... 21898-57-7 |
| 文献:Monti, Donato; Sleiter, Giancarlo Gazzetta Chimica Italiana, 1994 , vol. 124, # 3 p. 133 - 136 |
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~%
2-O-ethyl 4-O-m... 21898-57-7 |
| 文献:Corwin; Straughn Journal of the American Chemical Society, 1948 , vol. 70, p. 2968 |
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~%
2-O-ethyl 4-O-m... 21898-57-7 |
| 文献:Corwin; Ellingson Journal of the American Chemical Society, 1944 , vol. 66, p. 1146,1150 |
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~%
2-O-ethyl 4-O-m... 21898-57-7 |
| 文献:Kuester Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1922 , vol. 121, p. 146 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 5 | |
|---|---|
| 下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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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:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_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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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 2-ethyl-4-methyl diester of 3,5-dimethyl-2,4-pyrroledicarboxylic acid |
| 2,4-Dimethyl-3-methoxycarbonyl-5-ethoxycarbonyl-pyrrol |
| HMS2808E03 |
| 5-ethoxycarbonyl-3-methoxycarbonyl-2,4-dimethylpyrrole |
| 3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure-2-aethylester-4-methylester |
| ethyl 4-methoxycarbonyl-3,5-dimethylpyrrole-2-carboxylate |
| 3,5-dimethyl-pyrrole-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 21898-57-7的英文名称是什么? |
| A: 21898-57-7英文名称为2-O-ethyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate。 |
| Q: 21898-57-7有哪些英文别名? |
| A: 21898-57-7英文别名有:2-ethyl-4-methyl diester of 3,5-dimethyl-2,4-pyrroledicarboxylic acid、 2,4-Dimethyl-3-methoxycarbonyl-5-ethoxycarbonyl-pyrrol、 HMS2808E03、 5-ethoxycarbonyl-3-methoxycarbonyl-2,4-dimethylpyrrole、 3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure-2-aethylester-4-methylester、 ethyl 4-methoxycarbonyl-3,5-dimethylpyrrole-2-carboxylate、 3,5-dimethyl-pyrrole-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester。 |
| Q: 21898-57-7的分子量是多少? |
| A: 21898-57-7分子量为225.24100。 |
| Q: 21898-57-7的上游原料有哪些? |
| A: 21898-57-7相关上游原料(CAS):67-56-1;201230-82-2;5408-10-6;105-45-3;5408-04-8。 |
| Q: 21898-57-7的中文名称是什么? |
| A: 21898-57-7的中文名称为21898-57-7。 |
| Q: 21898-57-7的分子式是什么? |
| A: 21898-57-7分子式为C11H15NO4。 |
| Q: 21898-57-7的CAS号是多少? |
| A: 21898-57-7CAS号为21898-57-7。 |
| Q: 21898-57-7的极性表面积PSA是多少? |
| A: 21898-57-7极性表面积PSA为68.39000。 |
| Q: 21898-57-7的LogP(油水分配系数)是多少? |
| A: 21898-57-7LogP(油水分配系数)为1.59480。 |
| Q: 21898-57-7的InChIKey是什么? |
| A: 21898-57-7InChIKey为ZMFJOSFCIPKJCH-UHFFFAOYSA-N。 |