2-氨基-4,5,6,7-四氢苯并[b]噻吩-3-羧酸甲酯结构式
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常用名 | 2-氨基-4,5,6,7-四氢苯并[b]噻吩-3-羧酸甲酯 | 英文名 | 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester |
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| CAS号 | 108354-78-5 | 分子量 | 211.28100 | |
| 密度 | 1.273 g/cm3 | 沸点 | 399ºC at 760 mmHg | |
| 分子式 | C10H13NO2S | 熔点 | 128-131ºC | |
| MSDS | N/A | 闪点 | 195.1ºC |
| 中文名 | 2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯 |
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| 英文名 | Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate |
| 中文别名 | 2-氨基-4,5,6,7-四氢苯并[B]噻吩-3-羧酸甲酯 | 2-氨基-4,5,6,7-四氢-1-苯并噻吩-3-羧酸甲酯 |
| 英文别名 | 更多 |
| 密度 | 1.273 g/cm3 |
|---|---|
| 沸点 | 399ºC at 760 mmHg |
| 熔点 | 128-131ºC |
| 分子式 | C10H13NO2S |
| 分子量 | 211.28100 |
| 闪点 | 195.1ºC |
| 精确质量 | 211.06700 |
| PSA | 80.56000 |
| LogP | 2.57690 |
| InChIKey | DKYYKIHEIOOWRB-UHFFFAOYSA-N |
| SMILES | COC(=O)c1c(N)sc2c1CCCC2 |
| 外观性状 | 淡黄色固体 |
| 蒸汽压 | 1.42E-06mmHg at 25°C |
| 折射率 | 1.608 |
| 储存条件 | 2-8℃,干燥,密封, |
| 危害码 (欧洲) | Xi: Irritant; |
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| 危险品运输编码 | UN3335 |
| 海关编码 | 2934999090 |
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~76%
2-氨基-4,5,6,7-四氢... 108354-78-5 |
| 文献:PRESIDENT AND FELLOWS OF HARVARD COLLEGE; FINLEY, Daniel; KING, Randall, W.; LEE, Byung-Hoon; LEE, Min, Jae; GAHMAN, Timothy, C. Patent: WO2012/12712 A2, 2012 ; Location in patent: Page/Page column 47-48 ; |
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~87%
2-氨基-4,5,6,7-四氢... 108354-78-5 |
| 文献:The Dang, Hung; Chorell, Erik; Uvell, Hanna; Pinkner, Jerome S.; Hultgren, Scott J.; Almqvist, Fredrik Organic and Biomolecular Chemistry, 2014 , vol. 12, # 12 p. 1942 - 1956 |
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~88%
2-氨基-4,5,6,7-四氢... 108354-78-5 |
| 文献:Zhang, Haiqing; Yang, Guichun; Chen, Jianian; Chen, Zuxing Journal of Chemical Research, 2004 , # 5 p. 360 - 361 |
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~53%
2-氨基-4,5,6,7-四氢... 108354-78-5 |
| 文献:Reinecke, Manfred G.; Woodrow, Thomas A.; Brown, E. Sherwood Journal of Organic Chemistry, 1992 , vol. 57, # 3 p. 1018 - 1021 |
| 海关编码 | 2934999090 |
|---|---|
| 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:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:Binding affinity to KRAS G12V/S39C-BIT mutant (unknown origin) assessed as dissociati...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL5217975
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实验名称:Binding affinity to substrate binding site of multidrug resistance Mycobacterium tube...
来源:ChEMBL
靶标:Diacylglycerol acyltransferase/mycolyltransferase Ag85C
External Id:CHEMBL1634179
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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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:Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
来源:24983
靶标:Huntingtin
External Id:KUHTS-Muma KU-CaM-Htt INH-01
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实验名称:Growth inhibition of Mycobacterium smegmatis
来源:ChEMBL
靶标:Mycolicibacterium smegmatis
External Id:CHEMBL1634181
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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| Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| MFCD00130099 |