ETHYL 2-(METHYLTHIO)-4-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLATE结构式
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常用名 | ETHYL 2-(METHYLTHIO)-4-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLATE | 英文名 | ETHYL 2-(METHYLTHIO)-4-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLATE |
|---|---|---|---|---|
| CAS号 | 106475-47-2 | 分子量 | 289.35300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C14H15N3O2S | 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 | ethyl 4-anilino-2-methylsulfanylpyrimidine-5-carboxylate |
|---|---|
| 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 | C14H15N3O2S |
|---|---|
| 分子量 | 289.35300 |
| 精确质量 | 289.08800 |
| PSA | 92.64000 |
| LogP | 2.54070 |
| InChIKey | KHSBXCCTANEKRH-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cnc(SC)nc1Nc1ccccc1 |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2933599090 |
|---|
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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~62%
ETHYL 2-(METHYL... 106475-47-2 |
| 文献:SANOFI Patent: US2012/277220 A1, 2012 ; Location in patent: Page/Page column 26 ; |
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~65%
ETHYL 2-(METHYL... 106475-47-2 |
| 文献:Syntex (U.S.A.) LLC Patent: US6451804 B1, 2002 ; US 6451804 B1 |
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~%
ETHYL 2-(METHYL... 106475-47-2 |
| 文献:Peters et al. Cancer Research, 1959 , vol. 19, p. 729,730,731 |
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 2 | |
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| 下游产品 2 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2933599090 |
|---|---|
| 中文概述 | 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:ULK1_INH_LUMI_1536_1X%INH PRUN
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实验名称:A screen for compounds that inhibit cell wall-associated teichoic acid synthesis in S...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS704
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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: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: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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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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实验名称:A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
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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。
| 2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxylic acid ethyl ester |
| 4-anilino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester |
| 4-Anilino-2-methylmercapto-pyrimidin-5-carbonsaeure-aethylester |
| ethyl 4-phenylamino-2-methylthiopyrimidine-5-carboxylate |
| Ethyl 2-methylsulfanyl-4-phenylamino-5-pyrimidinecarboxylate |
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: 106475-47-2的极性表面积PSA是多少? |
| A: 106475-47-2极性表面积PSA为92.64000。 |
| Q: 106475-47-2的SMILES表达式是什么? |
| A: 106475-47-2SMILES表达式为CCOC(=O)c1cnc(SC)nc1Nc1ccccc1。 |
| Q: 106475-47-2的分子量是多少? |
| A: 106475-47-2分子量为289.35300。 |
| Q: 106475-47-2的LogP(油水分配系数)是多少? |
| A: 106475-47-2LogP(油水分配系数)为2.54070。 |
| Q: 106475-47-2的分子式是什么? |
| A: 106475-47-2分子式为C14H15N3O2S。 |
| Q: 106475-47-2的上游原料有哪些? |
| A: 106475-47-2相关上游原料(CAS):5909-24-0;53554-29-3。 |
| Q: 106475-47-2的下游产品有哪些? |
| A: 106475-47-2相关下游产品(CAS):185040-34-0;211245-56-6。 |
| Q: 106475-47-2的中文名称是什么? |
| A: 106475-47-2的中文名称为106475-47-2。 |
| Q: 106475-47-2的InChIKey是什么? |
| A: 106475-47-2InChIKey为KHSBXCCTANEKRH-UHFFFAOYSA-N。 |
| Q: 106475-47-2有哪些英文别名? |
| A: 106475-47-2英文别名有:2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxylic acid ethyl ester、 4-anilino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester、 4-Anilino-2-methylmercapto-pyrimidin-5-carbonsaeure-aethylester、 ethyl 4-phenylamino-2-methylthiopyrimidine-5-carboxylate、 Ethyl 2-methylsulfanyl-4-phenylamino-5-pyrimidinecarboxylate。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
| 上海化源世纪贸易有限公司 |