methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate
Modify Date: 2026-07-15 17:32:05
methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate structure
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Common Name | methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate | ||
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| CAS Number | 7404-85-5 | Molecular Weight | 363.40600 | |
| Density | 1.174g/cm3 | Boiling Point | 567.4ºC at 760 mmHg | |
| Molecular Formula | C22H21NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 243.6ºC | |
| Name | methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.174g/cm3 |
|---|---|
| Boiling Point | 567.4ºC at 760 mmHg |
| Molecular Formula | C22H21NO4 |
| Molecular Weight | 363.40600 |
| Flash Point | 243.6ºC |
| Exact Mass | 363.14700 |
| PSA | 84.23000 |
| LogP | 3.99558 |
| Index of Refraction | 1.559 |
| InChIKey | IHHWCIFPTKGKEP-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C#N)(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1 |
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methyl 2-cyano-... CAS#:7404-85-5 |
| Literature: Allen; Bell Canadian Journal of Research, 1934 , vol. 11, p. 40,43 |
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methyl 2-cyano-... CAS#:7404-85-5 |
| Literature: Feuer,H.; Harmetz,R. Journal of Organic Chemistry, 1961 , vol. 26, p. 1061 - 1072 |
| Precursor 3 | |
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| DownStream 0 | |
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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: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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Name: Identification of agents that induce E-selectin on human endothelial cells Measured i...
Source: Broad Institute
Target: E-Selectin
External Id: 2152-01_Activator_SinglePoint_HTS_Activity
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| 2-Cyan-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeriansaeure-methylester |
| 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeric acid methyl ester |
| 3-Methoxycarbonyl-3-cyan-1,5-dibenzoyl-pentan |
| Bis-(3-oxo-3-phenyl-propyl)-malonsaeure-methylester-nitril |
| METHYL 2-CYANO-5-OXO-2-(3-OXO-3-PHENYL-PROPYL)-5-PHENYL-PENTANOATE |