2-methyl-3-phenacylnaphthalene-1,4-dione结构式
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常用名 | 2-methyl-3-phenacylnaphthalene-1,4-dione | 英文名 | 2-methyl-3-phenacylnaphthalene-1,4-dione |
|---|---|---|---|---|
| CAS号 | 88007-98-1 | 分子量 | 290.31300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C19H14O3 | 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-methyl-3-phenacylnaphthalene-1,4-dione |
|---|---|
| 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 | C19H14O3 |
|---|---|
| 分子量 | 290.31300 |
| 精确质量 | 290.09400 |
| PSA | 51.21000 |
| LogP | 3.65510 |
| InChIKey | QKJWXHMJMZXPLX-UHFFFAOYSA-N |
| SMILES | CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |
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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~67%
2-methyl-3-phen... 88007-98-1 |
| 文献:Aldersley, Michael F.; Dean, Francis M.; Nayyir-Mazhir, Rassoul Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 8 p. 1753 - 1757 |
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~65%
2-methyl-3-phen... 88007-98-1 |
| 文献:Aldersley, Michael F.; Dean, Francis M.; Nayyir-Mazhir, Rassoul Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 8 p. 1753 - 1757 |
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~%
2-methyl-3-phen... 88007-98-1 |
| 文献:Aldersley, Michael F.; Chishti, Shuhid H.; Dean, Francis M.; Douglas, Mark E.; Ennis, David S. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 8 p. 2163 - 2174 |
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。
| 2-methyl-3-phenacylnaphthalene-1,4-dione上游产品 4 | |
|---|---|
| 2-methyl-3-phenacylnaphthalene-1,4-dione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:NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction ...
来源:ChEMBL
靶标:Plasmodium yoelii
External Id:CHEMBL1789905
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实验名称:Dose response confirmation of uHTS hits for Apaf-1 using a LZ-Caspase-9/Caspase-3 Flu...
来源:Burnham Center for Chemical Genomics
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:SBCCG-A720-APAF-1-Inhibitor-Casp9-3-DR-Assay
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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。
| GNF-Pf-2954 |
| 2-Methyl-3-phenacyl-1,4-naphthoquinone |
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: 88007-98-1的分子量是多少? |
| A: 88007-98-1分子量为290.31300。 |
| Q: 88007-98-1的中文名称是什么? |
| A: 88007-98-1的中文名称为88007-98-1。 |
| Q: 88007-98-1的英文名称是什么? |
| A: 88007-98-1英文名称为2-methyl-3-phenacylnaphthalene-1,4-dione。 |
| Q: 88007-98-1的上游原料有哪些? |
| A: 88007-98-1相关上游原料(CAS):58-27-5;16883-69-5;1137-94-6;36377-40-9。 |
| Q: 88007-98-1的极性表面积PSA是多少? |
| A: 88007-98-1极性表面积PSA为51.21000。 |
| Q: 88007-98-1的InChIKey是什么? |
| A: 88007-98-1InChIKey为QKJWXHMJMZXPLX-UHFFFAOYSA-N。 |
| Q: 88007-98-1有哪些英文别名? |
| A: 88007-98-1英文别名有:GNF-Pf-2954、 2-Methyl-3-phenacyl-1,4-naphthoquinone。 |
| Q: 88007-98-1的CAS号是多少? |
| A: 88007-98-1CAS号为88007-98-1。 |
| Q: 88007-98-1的LogP(油水分配系数)是多少? |
| A: 88007-98-1LogP(油水分配系数)为3.65510。 |
| Q: 88007-98-1的SMILES表达式是什么? |
| A: 88007-98-1SMILES表达式为CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O。 |