5b-Pregnane-3,11,20-trione,17-hydroxy- (6CI,8CI)结构式
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常用名 | 5b-Pregnane-3,11,20-trione,17-hydroxy- (6CI,8CI) | 英文名 | 5b-Pregnane-3,11,20-trione,17-hydroxy- (6CI,8CI) |
|---|---|---|---|---|
| CAS号 | 10455-93-3 | 分子量 | 346.46100 | |
| 密度 | 1.179g/cm3 | 沸点 | 502.2ºC at 760mmHg | |
| 分子式 | C21H30O4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 271.6ºC |
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 | (5R,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione |
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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 | 1.179g/cm3 |
|---|---|
| 沸点 | 502.2ºC at 760mmHg |
| 分子式 | C21H30O4 |
| 分子量 | 346.46100 |
| 闪点 | 271.6ºC |
| 精确质量 | 346.21400 |
| PSA | 71.44000 |
| LogP | 3.09730 |
| InChIKey | QFXXVTGREOEPLZ-QHDBMQRRSA-N |
| SMILES | CC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC21C |
| 蒸汽压 | 3.43E-12mmHg at 25°C |
| 折射率 | 1.543 |
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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5b-Pregnane-3,1... 10455-93-3 |
| 文献:Fonken et al. Journal of the American Chemical Society, 1955 , vol. 77, p. 172 |
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5b-Pregnane-3,1... 10455-93-3 |
| 文献:Kritchevsky et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 483,485 |
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5b-Pregnane-3,1... 10455-93-3 |
| 文献:Ercoli; Ruggieri Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1304,1309 |
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 | |
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| 下游产品 2 | |
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: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: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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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: 10455-93-3的分子式是什么? |
| A: 10455-93-3分子式为C21H30O4。 |
| Q: 10455-93-3的英文名称是什么? |
| A: 10455-93-3英文名称为(5R,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione。 |
| Q: 10455-93-3的CAS号是多少? |
| A: 10455-93-3CAS号为10455-93-3。 |
| Q: 10455-93-3的分子量是多少? |
| A: 10455-93-3分子量为346.46100。 |
| Q: 10455-93-3的中文名称是什么? |
| A: 10455-93-3的中文名称为10455-93-3。 |
| Q: 10455-93-3的极性表面积PSA是多少? |
| A: 10455-93-3极性表面积PSA为71.44000。 |
| Q: 10455-93-3的上游原料有哪些? |
| A: 10455-93-3相关上游原料(CAS):641-78-1;115484-65-6;3684-83-1。 |
| Q: 10455-93-3的沸点是多少? |
| A: 10455-93-3沸点为502.2ºC at 760mmHg。 |
| Q: 10455-93-3的InChIKey是什么? |
| A: 10455-93-3InChIKey为QFXXVTGREOEPLZ-QHDBMQRRSA-N。 |
| Q: 10455-93-3的LogP(油水分配系数)是多少? |
| A: 10455-93-3LogP(油水分配系数)为3.09730。 |