[4-(methylcarbamoyloxymethyl)-3-phenyl-thiazol-5-yl]methyl N-methylcarbamate结构式
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常用名 | [4-(methylcarbamoyloxymethyl)-3-phenyl-thiazol-5-yl]methyl N-methylcarbamate | 英文名 | [4-(methylcarbamoyloxymethyl)-3-phenyl-thiazol-5-yl]methyl N-methylcarbamate |
|---|---|---|---|---|
| CAS号 | 92126-33-5 | 分子量 | 335.37800 | |
| 密度 | 1.286g/cm3 | 沸点 | 482.2ºC at 760 mmHg | |
| 分子式 | C15H17N3O4S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 245.4ºC |
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 | [5-(methylcarbamoyloxymethyl)-3-phenyl-1,2-thiazol-4-yl]methyl N-methylcarbamate |
|---|---|
| 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。
| 密度 | 1.286g/cm3 |
|---|---|
| 沸点 | 482.2ºC at 760 mmHg |
| 分子式 | C15H17N3O4S |
| 分子量 | 335.37800 |
| 闪点 | 245.4ºC |
| 精确质量 | 335.09400 |
| PSA | 117.79000 |
| LogP | 3.30390 |
| InChIKey | QRUOFYSVDDXSIU-UHFFFAOYSA-N |
| SMILES | CNC(=O)OCc1snc(-c2ccccc2)c1COC(=O)NC |
| 折射率 | 1.577 |
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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~76%
[4-(methylcarba... 92126-33-5 |
| 文献:Anderson; Jones Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1559 - 1565 |
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~%
[4-(methylcarba... 92126-33-5 |
| 文献:Anderson; Jones Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1559 - 1565 |
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~%
[4-(methylcarba... 92126-33-5 |
| 文献:Anderson; Jones Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1559 - 1565 |
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 3 | |
|---|---|
| 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: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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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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:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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实验名称:Identification of agents that induce E-selectin on human endothelial cells Measured i...
来源:Broad Institute
靶标:E-Selectin
External Id:2152-01_Activator_SinglePoint_HTS_Activity
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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。
| 3-phenyl-4,5-bis(hydroxymethyl)isothiazole bis(methylcarbamate) |
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: 92126-33-5的InChIKey是什么? |
| A: 92126-33-5InChIKey为QRUOFYSVDDXSIU-UHFFFAOYSA-N。 |
| Q: 92126-33-5有哪些英文别名? |
| A: 92126-33-5英文别名有:3-phenyl-4,5-bis(hydroxymethyl)isothiazole bis(methylcarbamate)。 |
| Q: 92126-33-5的分子量是多少? |
| A: 92126-33-5分子量为335.37800。 |
| Q: 92126-33-5的上游原料有哪些? |
| A: 92126-33-5相关上游原料(CAS):624-83-9;5852-49-3;27545-53-5。 |
| Q: 92126-33-5的极性表面积PSA是多少? |
| A: 92126-33-5极性表面积PSA为117.79000。 |
| Q: 92126-33-5的中文名称是什么? |
| A: 92126-33-5的中文名称为92126-33-5。 |
| Q: 92126-33-5的LogP(油水分配系数)是多少? |
| A: 92126-33-5LogP(油水分配系数)为3.30390。 |
| Q: 92126-33-5的CAS号是多少? |
| A: 92126-33-5CAS号为92126-33-5。 |
| Q: 92126-33-5的SMILES表达式是什么? |
| A: 92126-33-5SMILES表达式为CNC(=O)OCc1snc(-c2ccccc2)c1COC(=O)NC。 |
| Q: 92126-33-5的沸点是多少? |
| A: 92126-33-5沸点为482.2ºC at 760 mmHg。 |