1H-Xanthene-1,8(2H)-dione,3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-9-(3-nitrophenyl)
1H-Xanthene-1,8(2H)-dione,3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-9-(3-nitrophenyl) structure
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Common Name | 1H-Xanthene-1,8(2H)-dione,3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-9-(3-nitrophenyl) | ||
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| CAS Number | 40588-50-9 | Molecular Weight | 395.44800 | |
| Density | 1.27g/cm3 | Boiling Point | 550.9ºC at 760 mmHg | |
| Molecular Formula | C23H25NO5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 211.3ºC | |
| Name | 3,3,6,6-tetramethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione |
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| Synonym | More Synonyms |
| Density | 1.27g/cm3 |
|---|---|
| Boiling Point | 550.9ºC at 760 mmHg |
| Molecular Formula | C23H25NO5 |
| Molecular Weight | 395.44800 |
| Flash Point | 211.3ºC |
| Exact Mass | 395.17300 |
| PSA | 89.19000 |
| LogP | 5.51820 |
| Index of Refraction | 1.601 |
| InChIKey | FKQZCAOBKRTYCO-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1 |
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~95%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Shirini, Frahad; Abedini, Masoumeh; Pourhasan, Reyhaneh Dyes and Pigments, 2013 , vol. 99, # 1 p. 250 - 255 |
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~93%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Rong, Liangce; Li, Xiaoyue; Wang, Haiying; Shi, Daqing; Tu, Shujiang; Zhuang, Qiya Synthetic Communications, 2006 , vol. 36, # 16 p. 2345 - 2353 |
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~%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Han, Guang-Fan; Cui, Bin; Chen, Li-Zhuang; Hu, Xiao-Lei Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 1 p. 195 - 199 |
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~%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Horning; Horning Journal of Organic Chemistry, 1946 , vol. 11, p. 95,97, 98 |
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~%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Horning; Horning Journal of Organic Chemistry, 1946 , vol. 11, p. 95,97, 98 |
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~%
1H-Xanthene-1,8... CAS#:40588-50-9 |
| Literature: Horning; Horning Journal of Organic Chemistry, 1946 , vol. 11, p. 95,97, 98 |
| Precursor 4 | |
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| DownStream 0 | |
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Name: Antiproliferative activity against human K562 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: K562
External Id: CHEMBL1960492
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: 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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Name: Antiproliferative activity against human COLO205 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: COLO 205
External Id: CHEMBL1960404
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Name: Antiproliferative activity against human IMR32 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: IMR-32
External Id: CHEMBL1960403
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| hms617n13 |