9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy结构式
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常用名 | 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy | 英文名 | 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy |
|---|---|---|---|---|
| CAS号 | 86456-31-7 | 分子量 | 314.40200 | |
| 密度 | 1.328g/cm3 | 沸点 | 532.7ºC at 760 mmHg | |
| 分子式 | C17H18N2O2S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 276ºC |
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 | 1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one |
|---|---|
| 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 | 1.328g/cm3 |
|---|---|
| 沸点 | 532.7ºC at 760 mmHg |
| 分子式 | C17H18N2O2S |
| 分子量 | 314.40200 |
| 闪点 | 276ºC |
| 精确质量 | 314.10900 |
| PSA | 80.81000 |
| LogP | 3.16680 |
| InChIKey | LIXQKVJTQBUEPZ-UHFFFAOYSA-N |
| SMILES | CN(C)CCNc1cccc2sc3ccc(O)cc3c(=O)c12 |
| 折射率 | 1.697 |
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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~73%
9H-Thioxanthen-... 86456-31-7 |
| 文献:Archer; Zayed; Rej; Rugino Journal of Medicinal Chemistry, 1983 , vol. 26, # 9 p. 1240 - 1246 |
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~%
9H-Thioxanthen-... 86456-31-7 |
| 文献:Archer; Zayed; Rej; Rugino Journal of Medicinal Chemistry, 1983 , vol. 26, # 9 p. 1240 - 1246 |
|
~%
9H-Thioxanthen-... 86456-31-7 |
| 文献:Archer; Zayed; Rej; Rugino Journal of Medicinal Chemistry, 1983 , vol. 26, # 9 p. 1240 - 1246 |
|
~%
9H-Thioxanthen-... 86456-31-7 |
| 文献:Archer; Zayed; Rej; Rugino Journal of Medicinal Chemistry, 1983 , vol. 26, # 9 p. 1240 - 1246 |
|
~%
9H-Thioxanthen-... 86456-31-7 |
| 文献:Archer; Zayed; Rej; Rugino Journal of Medicinal Chemistry, 1983 , vol. 26, # 9 p. 1240 - 1246 |
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:C. difficile toxins: Counterscreen in absence of substrate UDPG Measured in Biochemic...
来源:Broad Institute
靶标:N/A
External Id:7074-02_Inhibitor_Dose_CherryPick_Activity
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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:C. difficile toxins: HTS for inhibitors of TcdB glycohydrolase activity Measured in B...
来源:Broad Institute
靶标:Toxin B [Clostridium difficile 630]
External Id:7074-01_Inhibitor_Dose_CherryPick_Activity
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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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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。
| 1-(2-dimethylaminoethylamino)-7-hydroxythioxanthen-9-one |
| 1-{[2-(dimethylamino)ethyl]amino}-7-hydroxy-9H-thioxanthen-9-one |
| 9H-Thioxanthen-9-one,1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy |
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: 86456-31-7的下游产品有哪些? |
| A: 86456-31-7相关下游产品(CAS):86455-91-6;86456-32-8。 |
| Q: 86456-31-7的上游原料有哪些? |
| A: 86456-31-7相关上游原料(CAS):86456-05-5;108-37-2;16807-37-7;19532-69-5;86455-99-4。 |
| Q: 86456-31-7的英文名称是什么? |
| A: 86456-31-7英文名称为1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one。 |
| Q: 86456-31-7的极性表面积PSA是多少? |
| A: 86456-31-7极性表面积PSA为80.81000。 |
| Q: 86456-31-7的LogP(油水分配系数)是多少? |
| A: 86456-31-7LogP(油水分配系数)为3.16680。 |
| Q: 86456-31-7的沸点是多少? |
| A: 86456-31-7沸点为532.7ºC at 760 mmHg。 |
| Q: 86456-31-7的分子式是什么? |
| A: 86456-31-7分子式为C17H18N2O2S。 |
| Q: 86456-31-7的SMILES表达式是什么? |
| A: 86456-31-7SMILES表达式为CN(C)CCNc1cccc2sc3ccc(O)cc3c(=O)c12。 |
| Q: 86456-31-7有哪些英文别名? |
| A: 86456-31-7英文别名有:1-(2-dimethylaminoethylamino)-7-hydroxythioxanthen-9-one、 1-{[2-(dimethylamino)ethyl]amino}-7-hydroxy-9H-thioxanthen-9-one、 9H-Thioxanthen-9-one,1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy。 |
| Q: 86456-31-7的中文名称是什么? |
| A: 86456-31-7的中文名称为86456-31-7。 |