diethyl 5-acetamido-3-methyl-thiophene-2,4-dicarboxylate结构式
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常用名 | diethyl 5-acetamido-3-methyl-thiophene-2,4-dicarboxylate | 英文名 | diethyl 5-acetamido-3-methyl-thiophene-2,4-dicarboxylate |
|---|---|---|---|---|
| CAS号 | 4815-41-2 | 分子量 | 299.34300 | |
| 密度 | 1.262g/cm3 | 沸点 | 456.5ºC at 760 mmHg | |
| 分子式 | C13H17NO5S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 229.9ºC |
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 | diethyl 5-acetamido-3-methylthiophene-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。
| 密度 | 1.262g/cm3 |
|---|---|
| 沸点 | 456.5ºC at 760 mmHg |
| 分子式 | C13H17NO5S |
| 分子量 | 299.34300 |
| 闪点 | 229.9ºC |
| 精确质量 | 299.08300 |
| PSA | 109.94000 |
| LogP | 2.44130 |
| InChIKey | DSAAXKNXXOMQNQ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C |
| 折射率 | 1.559 |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2934999090 |
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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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~%
diethyl 5-aceta... 4815-41-2 |
| 文献:Hoffmann-La Roche Inc. Patent: US4061656 A1, 1977 ; |
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~87%
diethyl 5-aceta... 4815-41-2 |
| 文献:Hafez; El-Gazzar Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 19 p. 5222 - 5227 |
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 2 | |
|---|---|
| 下游产品 0 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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。
| 2,4-diethoxycarbonyl-3-methyl-5-acetylamino-thiophene |
| 3,5-diethyl 2-acetylamino-4-methylthiophenedicarboxylate |
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: 4815-41-2的LogP(油水分配系数)是多少? |
| A: 4815-41-2LogP(油水分配系数)为2.44130。 |
| Q: 4815-41-2的InChIKey是什么? |
| A: 4815-41-2InChIKey为DSAAXKNXXOMQNQ-UHFFFAOYSA-N。 |
| Q: 4815-41-2的中文名称是什么? |
| A: 4815-41-2的中文名称为4815-41-2。 |
| Q: 4815-41-2的CAS号是多少? |
| A: 4815-41-2CAS号为4815-41-2。 |
| Q: 4815-41-2的上游原料有哪些? |
| A: 4815-41-2相关上游原料(CAS):4815-30-9;108-24-7。 |
| Q: 4815-41-2的沸点是多少? |
| A: 4815-41-2沸点为456.5ºC at 760 mmHg。 |
| Q: 4815-41-2的分子量是多少? |
| A: 4815-41-2分子量为299.34300。 |
| Q: 4815-41-2的SMILES表达式是什么? |
| A: 4815-41-2SMILES表达式为CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C。 |
| Q: 4815-41-2的英文名称是什么? |
| A: 4815-41-2英文名称为diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate。 |
| Q: 4815-41-2有哪些英文别名? |
| A: 4815-41-2英文别名有:2,4-diethoxycarbonyl-3-methyl-5-acetylamino-thiophene、 3,5-diethyl 2-acetylamino-4-methylthiophenedicarboxylate。 |