1,3-Diphenyl-2-propyn-1-one, also known as benzoylphenylacetylene, is a yellow crystalline solid with a melting point of 52-54 °C. It is an important synthetic intermediate in organic chemistry and has been used in the synthesis of various compounds, including pharmaceuticals, dyes, and polymers. The compound is also a known inhibitor of certain enzymes, such as acetylcholinesterase and butyrylcholinesterase. The study of 1,3-diphenyl-2-propyn-1-one is important due to its potential applications in various fields, including medicine, materials science, and organic synthesis. It is also of interest to researchers studying the structure and reactivity of alkynes and aromatic compounds.'
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1,3-diphenyl-2-propyn-1-one: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 97637 |
| CHEMBL ID | 1905831 |
| SCHEMBL ID | 978641 |
| MeSH ID | M0252890 |
| Synonym |
|---|
| 3-phenylpropiolophenone |
| benzoylphenylacetylene |
| phenethynyl phenyl ketone |
| nsc-138646 |
| phenylbenzoylacetylene |
| diphenylpropynone |
| nsc138646 |
| 1,3-diphenylpropynone |
| 2-propyn-1-one,3-diphenyl- |
| 1-benzoyl-2-phenylacetylene |
| propiolophenone, 3-phenyl- |
| 7338-94-5 |
| mls002920456 , |
| phenyl phenylethynyl ketone |
| .beta.-phenylpropiolophenone |
| beta-phenylpropiolophenone |
| brn 0609091 |
| 1,3-diphenyl-2-propyn-1-one |
| phenylethynyl phenyl ketone |
| 2-propyn-1-one, 1,3-diphenyl- |
| inchi=1/c15h10o/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10 |
| UNM-0000306039 , |
| smr001798047 |
| 1,3-diphenylprop-2-yn-1-one |
| F2196-0023 |
| 1,3-diphenyl-prop-2-yn-1-one |
| 4-07-00-01735 (beilstein handbook reference) |
| nsc 138646 |
| AKOS015913444 |
| diphenylprop-2-yn-1-one |
| 1-phenyl-3-phenyl-2-propyne-1-one |
| DTXSID50223621 |
| 1,3-diphenyl-propynone |
| mfcd00156767 |
| SCHEMBL978641 |
| 1,3-diphenyl-2-propyn-1-one # |
| CHEMBL1905831 |
| bdbm54695 |
| cid_97637 |
| 1,3-diphenyl-2-propynone |
| EN300-234884 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| WRN | Homo sapiens (human) | Potency | 44.6684 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
| TDP1 protein | Homo sapiens (human) | Potency | 0.6556 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Smad3 | Homo sapiens (human) | Potency | 10.0000 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| 67.9K protein | Vaccinia virus | Potency | 15.6730 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
| IDH1 | Homo sapiens (human) | Potency | 29.0929 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 28.1838 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 2.9935 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
| Vpr | Human immunodeficiency virus 1 | Potency | 63.0957 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
| Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 12.5893 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| GTP-binding protein (rab7) | Canis lupus familiaris (dog) | EC50 (µMol) | 30.0000 | 0.0220 | 1.2146 | 6.4190 | AID2036 |
| ras protein, partial | Homo sapiens (human) | EC50 (µMol) | 30.0000 | 0.0200 | 0.2237 | 1.9660 | AID2038; AID2043 |
| Rac1 protein | Homo sapiens (human) | EC50 (µMol) | 30.0000 | 0.0202 | 5.9860 | 29.5100 | AID2039; AID2040 |
| cell division cycle 42 (GTP binding protein, 25kDa), partial | Homo sapiens (human) | EC50 (µMol) | 30.0000 | 0.0563 | 3.0554 | 13.5100 | AID2021; AID2022 |
| Ras-related protein Rab-2A | Canis lupus familiaris (dog) | EC50 (µMol) | 30.0000 | 0.1580 | 0.3777 | 0.7042 | AID2046 |
| Sigma non-opioid intracellular receptor 1 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 30.0000 | 0.1060 | 1.0765 | 1.7000 | AID2038; AID2043 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
| protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
| follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
| GTPase activity | Ras-related protein Rab-2A | Canis lupus familiaris (dog) |
| GTP binding | Ras-related protein Rab-2A | Canis lupus familiaris (dog) |
| GDP binding | Ras-related protein Rab-2A | Canis lupus familiaris (dog) |
| G protein-coupled opioid receptor activity | Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) |
| protein binding | Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 1 (20.00) | 18.2507 |
| 2000's | 1 (20.00) | 29.6817 |
| 2010's | 2 (40.00) | 24.3611 |
| 2020's | 1 (20.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.90) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||