6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯结构式
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常用名 | 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯 | 英文名 | 6-BROMO-5-HYDROXY-2-METHYL-1H-INDOLE-3-ARBOXYLIC ACID, ETHYL ESTER |
|---|---|---|---|---|
| CAS号 | 16052-67-8 | 分子量 | 298.13300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H12BrNO3 | 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。
| 中文名 | 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯 |
|---|---|
| 英文名 | ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate |
| 中文别名 | 6-溴-5-羟基-2-甲基-1H-吲哚-3-羧酸乙酯 |
| 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 | C12H12BrNO3 |
|---|---|
| 分子量 | 298.13300 |
| 精确质量 | 297.00000 |
| PSA | 62.32000 |
| LogP | 3.12110 |
| InChIKey | IHGRXBMSSFFTJL-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12 |
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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~68%
6-溴-5-羟基2-甲基-1H... 16052-67-8 |
| 文献:Hiremath, Shivayogi P.; Badami, Prema S.; Purohit, Muralidhar G. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 5 p. 437 - 440 |
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~%
6-溴-5-羟基2-甲基-1H... 16052-67-8 |
| 文献:Hiremath, Shivayogi P.; Badami, Prema S.; Purohit, Muralidhar G. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 5 p. 437 - 440 |
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~%
6-溴-5-羟基2-甲基-1H... 16052-67-8 |
| 文献:Hiremath, Shivayogi P.; Badami, Prema S.; Purohit, Muralidhar G. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 5 p. 437 - 440 |
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: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 polarization-based biochemical high throughput confirmation assay to ide...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_3X%INH CRUN
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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。
| 6-bromo-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester |
| ethyl 6-bromo-5-hydroxy-2-methylindole-3-carboxylate |
| 5-Hydroxy-6-brom-3-ethoxycarbonyl-2-methyl-indol |
| 6-Bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester |
| 6-Brom-5-hydroxy-2-methyl-indol-3-carbonsaeure-ethylester |
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: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的LogP(油水分配系数)是多少? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯LogP(油水分配系数)为3.12110。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的分子式是什么? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯分子式为C12H12BrNO3。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯有哪些中文别名? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯中文别名有:6-溴-5-羟基-2-甲基-1H-吲哚-3-羧酸乙酯。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的分子量是多少? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯分子量为298.13300。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯有哪些英文别名? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯英文别名有:6-bromo-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester、 ethyl 6-bromo-5-hydroxy-2-methylindole-3-carboxylate、 5-Hydroxy-6-brom-3-ethoxycarbonyl-2-methyl-indol、 6-Bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester、 6-Brom-5-hydroxy-2-methyl-indol-3-carbonsaeure-ethylester。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的极性表面积PSA是多少? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯极性表面积PSA为62.32000。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的英文名称是什么? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯英文名称为ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate。 |
| Q: 16052-67-8的中文名称是什么? |
| A: 16052-67-8的中文名称为6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的CAS号是多少? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯CAS号为16052-67-8。 |
| Q: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯的SMILES表达式是什么? |
| A: 6-溴-5-羟基2-甲基-1H-吲哚-3-羧酸乙酯SMILES表达式为CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12。 |