1H-Indole-3-butanoicacid, ethyl ester结构式
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常用名 | 1H-Indole-3-butanoicacid, ethyl ester | 英文名 | 1H-Indole-3-butanoicacid, ethyl ester |
|---|---|---|---|---|
| CAS号 | 49850-32-0 | 分子量 | 231.29000 | |
| 密度 | 1.132g/cm3 | 沸点 | 393.8ºC at 760mmHg | |
| 分子式 | C14H17NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 191.9ºC |
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 | ethyl 4-(1H-indol-3-yl)butanoate |
|---|---|
| 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 | 1.132g/cm3 |
|---|---|
| 沸点 | 393.8ºC at 760mmHg |
| 分子式 | C14H17NO2 |
| 分子量 | 231.29000 |
| 闪点 | 191.9ºC |
| 精确质量 | 231.12600 |
| PSA | 42.09000 |
| LogP | 3.05370 |
| InChIKey | IOPNPSITAMJKFR-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCCc1c[nH]c2ccccc12 |
| 折射率 | 1.584 |
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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~92%
1H-Indole-3-but... 49850-32-0 |
| 文献:Pedras, M. Soledade C.; Minic, Zoran; Thongbam, Premila D.; Bhaskar, Vangala; Montaut, Sabine Phytochemistry, 2010 , vol. 71, # 17-18 p. 1952 - 1962 |
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~79%
1H-Indole-3-but... 49850-32-0 |
| 文献:Inada, Akira; Nakamura, Yushin; Morita, Yutaka Chemistry Letters, 1980 , p. 1287 - 1290 |
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~%
1H-Indole-3-but... 49850-32-0 |
| 文献:Bullock; Hand Journal of the American Chemical Society, 1956 , vol. 78, p. 5854,5856 |
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。
| 1H-Indole-3-butanoicacid, ethyl ester上游产品 5 | |
|---|---|
| 1H-Indole-3-butanoicacid, ethyl ester下游产品 1 | |
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: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: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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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。
| 4-indol-3-yl-butyric acid ethyl ester |
| 4-Indol-3-yl-buttersaeure-aethylester |
| ethyl 3-indolebutyrate |
| 3-Indolylbuttersaeureethylester |
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: 49850-32-0的中文名称是什么? |
| A: 49850-32-0的中文名称为49850-32-0。 |
| Q: 49850-32-0的分子式是什么? |
| A: 49850-32-0分子式为C14H17NO2。 |
| Q: 49850-32-0的InChIKey是什么? |
| A: 49850-32-0InChIKey为IOPNPSITAMJKFR-UHFFFAOYSA-N。 |
| Q: 49850-32-0的英文名称是什么? |
| A: 49850-32-0英文名称为ethyl 4-(1H-indol-3-yl)butanoate。 |
| Q: 49850-32-0的CAS号是多少? |
| A: 49850-32-0CAS号为49850-32-0。 |
| Q: 49850-32-0的沸点是多少? |
| A: 49850-32-0沸点为393.8ºC at 760mmHg。 |
| Q: 49850-32-0有哪些英文别名? |
| A: 49850-32-0英文别名有:4-indol-3-yl-butyric acid ethyl ester、 4-Indol-3-yl-buttersaeure-aethylester、 ethyl 3-indolebutyrate、 3-Indolylbuttersaeureethylester。 |
| Q: 49850-32-0的极性表面积PSA是多少? |
| A: 49850-32-0极性表面积PSA为42.09000。 |
| Q: 49850-32-0的下游产品有哪些? |
| A: 49850-32-0相关下游产品(CAS):27086-07-3。 |
| Q: 49850-32-0的SMILES表达式是什么? |
| A: 49850-32-0SMILES表达式为CCOC(=O)CCCc1c[nH]c2ccccc12。 |