2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone结构式
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常用名 | 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone | 英文名 | 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone |
|---|---|---|---|---|
| CAS号 | 57338-58-6 | 分子量 | 324.13000 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H10BrN3O3 | 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-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone |
|---|---|
| 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 | C12H10BrN3O3 |
|---|---|
| 分子量 | 324.13000 |
| 精确质量 | 322.99100 |
| PSA | 80.71000 |
| LogP | 3.26830 |
| InChIKey | DPLUPFDHVBNDAY-UHFFFAOYSA-N |
| SMILES | Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccccc1 |
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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~57%
2-(5-bromo-2-me... 57338-58-6
查看详情
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| 文献:Salgado-Zamora, Hector; Campos, Elena; Jimenez, Rogelio; Sanchez-Pavon, Esmeralda; Cervantes, Humberto Heterocycles, 1999 , vol. 50, # 2 p. 1081 - 1090 |
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~82%
2-(5-bromo-2-me... 57338-58-6 |
| 文献:Povstyanoi, M. V.; Klykov, M. A.; Klyuev, N. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 6 p. 622 - 626 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , # 6 p. 833 - 837 |
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~67%
2-(5-bromo-2-me... 57338-58-6 |
| 文献:Povstyanoi, M. V.; Klykov, M. A.; Klyuev, N. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 6 p. 622 - 626 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , # 6 p. 833 - 837 |
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~84%
2-(5-bromo-2-me... 57338-58-6 |
| 文献:Sobiak, Stanislaw Journal fuer Praktische Chemie - Practical Applications and Applied Chemistry (Germany), 1999 , vol. 341, # 2 p. 179 - 181 |
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~%
2-(5-bromo-2-me... 57338-58-6 |
| 文献:Povstyanoi, M. V.; Klykov, M. A.; Klyuev, N. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 6 p. 622 - 626 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , # 6 p. 833 - 837 |
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 4 | |
|---|---|
| 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:HCS to Identify Inhibitors of Dynein Mediated Cargo Transport on Microtubules: Confir...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:N/A
External Id:HCS to Identify Inhibitors of Dynein Mediated Cargo Transport on Microtubules: Confirmation Assay, R21NS057026
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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: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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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH 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。
| HMS2298J20 |
| 5-bromo-2-methyl-4-nitro-1-phenacylimidazole |
| 5-bromo-1-phenacyl-2-methyl-4-nitroimidazole |
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: 57338-58-6的分子式是什么? |
| A: 57338-58-6分子式为C12H10BrN3O3。 |
| Q: 57338-58-6的上游原料有哪些? |
| A: 57338-58-6相关上游原料(CAS):70-11-1;18874-52-7;79456-88-5;204444-52-0。 |
| Q: 57338-58-6的InChIKey是什么? |
| A: 57338-58-6InChIKey为DPLUPFDHVBNDAY-UHFFFAOYSA-N。 |
| Q: 57338-58-6的中文名称是什么? |
| A: 57338-58-6的中文名称为57338-58-6。 |
| Q: 57338-58-6的SMILES表达式是什么? |
| A: 57338-58-6SMILES表达式为Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccccc1。 |
| Q: 57338-58-6的CAS号是多少? |
| A: 57338-58-6CAS号为57338-58-6。 |
| Q: 57338-58-6的英文名称是什么? |
| A: 57338-58-6英文名称为2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone。 |
| Q: 57338-58-6的分子量是多少? |
| A: 57338-58-6分子量为324.13000。 |
| Q: 57338-58-6的LogP(油水分配系数)是多少? |
| A: 57338-58-6LogP(油水分配系数)为3.26830。 |
| Q: 57338-58-6的极性表面积PSA是多少? |
| A: 57338-58-6极性表面积PSA为80.71000。 |