4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one结构式
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常用名 | 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one | 英文名 | 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one |
|---|---|---|---|---|
| CAS号 | 3977-31-9 | 分子量 | 276.33200 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C18H16N2O | 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 | 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-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。
| 分子式 | C18H16N2O |
|---|---|
| 分子量 | 276.33200 |
| 精确质量 | 276.12600 |
| PSA | 44.62000 |
| LogP | 3.36680 |
| InChIKey | KJJLLGKZUIVHTE-UHFFFAOYSA-N |
| SMILES | O=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1 |
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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~89%
4-phenyl-3,4,5,... 3977-31-9 |
| 文献:Sabitha, Gowravaram; Reddy, Kusuma B.; Srinivas, Rangavajjula; Yadav, Jillu S. Helvetica Chimica Acta, 2005 , vol. 88, # 11 p. 2996 - 2999 |
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~82%
4-phenyl-3,4,5,... 3977-31-9 |
| 文献:Rahman, Matiur; Sarkar, Anirban; Ghosh, Monoranjan; Majee, Adinath; Hajra, Alakananda Tetrahedron Letters, 2014 , vol. 55, # 1 p. 235 - 239 |
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~44%
4-phenyl-3,4,5,... 3977-31-9 |
| 文献:Lorand; Szabo; Foldesi Acta Chimica Academiae Scientiarum Hungaricae, 1982 , vol. 111, # 3 p. 305 - 310 |
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~%
4-phenyl-3,4,5,... 3977-31-9 |
| 文献:Lorand; Szabo; Foldesi Acta Chimica Academiae Scientiarum Hungaricae, 1982 , vol. 111, # 3 p. 305 - 310 |
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 6 | |
|---|---|
| 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: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:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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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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。
| 4-phenyl-3,4,5,6-tetrahydrobenzo<h>quinazoline-2(1H)one |
| 2-Hydroxy-4-phenyl-3,4,5,6-tetrahydrobenzo<h>chinazolin |
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: 3977-31-9的上游原料有哪些? |
| A: 3977-31-9相关上游原料(CAS):100-52-7;529-34-0;57-13-6;716336-73-1;85660-18-0;6261-32-1。 |
| Q: 3977-31-9的中文名称是什么? |
| A: 3977-31-9的中文名称为3977-31-9。 |
| Q: 3977-31-9的分子量是多少? |
| A: 3977-31-9分子量为276.33200。 |
| Q: 3977-31-9的英文名称是什么? |
| A: 3977-31-9英文名称为4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one。 |
| Q: 3977-31-9的LogP(油水分配系数)是多少? |
| A: 3977-31-9LogP(油水分配系数)为3.36680。 |
| Q: 3977-31-9的分子式是什么? |
| A: 3977-31-9分子式为C18H16N2O。 |
| Q: 3977-31-9的InChIKey是什么? |
| A: 3977-31-9InChIKey为KJJLLGKZUIVHTE-UHFFFAOYSA-N。 |
| Q: 3977-31-9的CAS号是多少? |
| A: 3977-31-9CAS号为3977-31-9。 |
| Q: 3977-31-9的极性表面积PSA是多少? |
| A: 3977-31-9极性表面积PSA为44.62000。 |
| Q: 3977-31-9有哪些英文别名? |
| A: 3977-31-9英文别名有:4-phenyl-3,4,5,6-tetrahydrobenzoquinazoline-2(1H)one、 2-Hydroxy-4-phenyl-3,4,5,6-tetrahydrobenzochinazolin。 |