3-羰基-3,4-二氢-2氢-1,4-苯并噻嗪-6-羧酸甲酯结构式
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常用名 | 3-羰基-3,4-二氢-2氢-1,4-苯并噻嗪-6-羧酸甲酯 | 英文名 | methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
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| CAS号 | 188614-01-9 | 分子量 | 223.248 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 435.7±45.0 °C at 760 mmHg | |
| 分子式 | C10H9NO3S | 熔点 | 180-182ºC | |
| MSDS | N/A | 闪点 | 217.3±28.7 °C |
| 中文名 | 3-氧代-2H-1,4-苯并噻嗪-6-甲酸甲酯 |
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| 英文名 | methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate |
| 中文别名 | 3-羰基-3,4-二氢-2H-1,4-苯并噻嗪-6-羧酸甲酯 | 3-羰基-3,4-二氢-2氢-1,4-苯并噻嗪-6-羧酸甲酯 |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 435.7±45.0 °C at 760 mmHg |
| 熔点 | 180-182ºC |
| 分子式 | C10H9NO3S |
| 分子量 | 223.248 |
| 闪点 | 217.3±28.7 °C |
| 精确质量 | 223.030319 |
| PSA | 80.70000 |
| LogP | 1.41 |
| InChIKey | UFSVRHNRNVVBJR-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc2c(c1)NC(=O)CS2 |
| 蒸汽压 | 0.0±1.0 mmHg at 25°C |
| 折射率 | 1.605 |
| 储存条件 | 2-8°C |
| 危害码 (欧洲) | Xi |
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| 海关编码 | 2934999090 |
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~91%
3-羰基-3,4-二氢-2氢-... 188614-01-9 |
| 文献:Huang, Wei-Sheng; Xu, Rongsong; Dodd, Rory; Shakespeare, William C. Tetrahedron Letters, 2013 , vol. 54, # 38 p. 5214 - 5216 |
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~89%
3-羰基-3,4-二氢-2氢-... 188614-01-9 |
| 文献:Preuss, Janina; Malone, Patrick; Peddibhotla, Satyamaheshwar; Hedrick, Michael P.; Hershberger, Paul; Gosalia, Palak; Milewski, Monika; Li, Yujie Linda; Sugarman, Eliot; Hood, Becky; Suyama, Eigo; Nguyen, Kevin; Vasile, Stefan; Sergienko, Eduard; Mangravita-Novo, Arianna; Vicchiarelli, Michael; McAnally, Danielle; Smith, Layton H; Roth, Gregory P.; Diwan, Jena; Chung, Thomas D.Y.; Jortzik, Esther; Rahlfs, Stefan; Becker, Katja; Pinkerton, Anthony B.; Bode, Lars Journal of Medicinal Chemistry, 2012 , vol. 55, # 16 p. 7262 - 7272 |
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~%
3-羰基-3,4-二氢-2氢-... 188614-01-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 55, # 16 p. 7262 - 7272 |
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~%
3-羰基-3,4-二氢-2氢-... 188614-01-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 55, # 16 p. 7262 - 7272 |
| 海关编码 | 2934999090 |
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| 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% |
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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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| 2H-1,4-Benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester |
| Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| T66 BMV ES DHJ IVO1 |
| methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| Methyl 3-Oxo-2H-1,4-benzothiazine-6-carboxylate |
| Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylate |
| Methyl 3-oxo-2H,4H-benzo[3,4-e]1,4-thiazine-6-carboxylate |