(1-oxidopyridin-5-yl)-phenyl-methanol结构式
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常用名 | (1-oxidopyridin-5-yl)-phenyl-methanol | 英文名 | (1-oxidopyridin-5-yl)-phenyl-methanol |
|---|---|---|---|---|
| CAS号 | 39585-76-7 | 分子量 | 201.22100 | |
| 密度 | 1.15g/cm3 | 沸点 | 452.4ºC at 760 mmHg | |
| 分子式 | C12H11NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 227.4ºC |
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 | (1-oxidopyridin-1-ium-3-yl)-phenylmethanol |
|---|---|
| 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 | 1.15g/cm3 |
|---|---|
| 沸点 | 452.4ºC at 760 mmHg |
| 分子式 | C12H11NO2 |
| 分子量 | 201.22100 |
| 闪点 | 227.4ºC |
| 精确质量 | 201.07900 |
| PSA | 45.69000 |
| LogP | 2.19680 |
| InChIKey | MPRKOTAWRBGXBQ-UHFFFAOYSA-N |
| SMILES | [O-][n+]1cccc(C(O)c2ccccc2)c1 |
| 折射率 | 1.585 |
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。
|
~60%
(1-oxidopyridin... 39585-76-7 |
| 文献:Duan, Xin-Fang; Zi-Qian, Ma.; Zhang, Fang; Zhang, Zhan-Bin Journal of Organic Chemistry, 2009 , vol. 74, # 2 p. 939 - 942 |
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~90%
(1-oxidopyridin... 39585-76-7 |
| 文献:Takeshita, Mitsuhiro; Yoshida, Sachiko; Sato, Takumi; Akutsu, Nami Heterocycles, 1993 , vol. 35, # 2 p. 879 - 884 |
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。
| (1-oxidopyridin-5-yl)-phenyl-methanol上游产品 3 | |
|---|---|
| (1-oxidopyridin-5-yl)-phenyl-methanol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:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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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。
| hms2832g14 |
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: 39585-76-7的上游原料有哪些? |
| A: 39585-76-7相关上游原料(CAS):22447-55-8;100-52-7;29022-36-4。 |
| Q: 39585-76-7的InChIKey是什么? |
| A: 39585-76-7InChIKey为MPRKOTAWRBGXBQ-UHFFFAOYSA-N。 |
| Q: 39585-76-7有哪些英文别名? |
| A: 39585-76-7英文别名有:hms2832g14。 |
| Q: 39585-76-7的分子量是多少? |
| A: 39585-76-7分子量为201.22100。 |
| Q: 39585-76-7的沸点是多少? |
| A: 39585-76-7沸点为452.4ºC at 760 mmHg。 |
| Q: 39585-76-7的SMILES表达式是什么? |
| A: 39585-76-7SMILES表达式为[O-][n+]1cccc(C(O)c2ccccc2)c1。 |
| Q: 39585-76-7的中文名称是什么? |
| A: 39585-76-7的中文名称为39585-76-7。 |
| Q: 39585-76-7的LogP(油水分配系数)是多少? |
| A: 39585-76-7LogP(油水分配系数)为2.19680。 |
| Q: 39585-76-7的CAS号是多少? |
| A: 39585-76-7CAS号为39585-76-7。 |
| Q: 39585-76-7的分子式是什么? |
| A: 39585-76-7分子式为C12H11NO2。 |