2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one is a complex organic molecule. It is a derivative of pyrazolone, specifically a 4H-pyrazol-3-one, substituted with a benzimidazole group at position 2, a methyl group at position 5, and a benzyl group (phenylmethyl) at position 4.
**Importance in Research:**
This specific compound hasn't been widely studied or reported in the literature. However, its structural features suggest potential applications in various research areas:
* **Pharmacology:**
* **Anti-inflammatory activity:** Pyrazolones are known for their anti-inflammatory properties. The presence of the benzimidazole group might enhance this activity.
* **Antibacterial activity:** Benzimidazole derivatives have shown antibacterial potential. This compound could be explored for its potential antibacterial properties.
* **Anti-cancer activity:** The combination of pyrazolone and benzimidazole moieties might exhibit anti-cancer activity, although further research is required.
* **Material Science:**
* **Organic electronics:** The conjugated structure of the compound could be explored for its potential in organic light-emitting diodes (OLEDs) or organic solar cells.
* **Dye-sensitized solar cells:** The structure might be suitable for use as a dye in dye-sensitized solar cells.
**Limitations and Considerations:**
* **Lack of research:** There's limited research on this specific compound, making it difficult to predict its exact properties and applications.
* **Synthesis and characterization:** Developing a synthetic route for this complex molecule and thoroughly characterizing its properties are essential steps for further research.
* **Biological activity:** While the structure suggests potential biological activities, rigorous experimental studies are needed to confirm and understand its effects.
**In summary:** While the exact importance of 2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one remains unclear, its structure holds potential for research in pharmacology and materials science. Further investigation into its synthesis, characterization, and biological activity is necessary to understand its true value and potential applications.
ID Source | ID |
---|---|
PubMed CID | 3915969 |
CHEMBL ID | 1470633 |
CHEBI ID | 125146 |
SCHEMBL ID | 12187885 |
Synonym |
---|
CHEMDIV3_015082 |
2-(1h-benzimidazol-2-yl)-4-benzyl-5-methyl-2,4-dihydro-3h-pyrazol-3-one |
STK210203 |
CHEBI:125146 |
HMS1515N12 |
AKOS002266928 |
2-(1h-benzimidazol-2-yl)-4-benzyl-5-methyl-4h-pyrazol-3-one |
SCHEMBL12187885 |
HMS2806E23 |
AKOS016308911 |
CHEMBL1470633 |
2-(1h-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4h-pyrazol-3-one |
Q27215490 |
726201-08-7 |
2-(1h-benzo[d]imidazol-2-yl)-4-benzyl-5-methyl-2,4-dihydro-3h-pyrazol-3-one |
2-(1h-1,3-benzimidazol-2-yl)-4-benzyl-5-methyl-2,4-dihydro-3h-pyrazol-3-one |
Class | Description |
---|---|
benzimidazoles | An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 3.5481 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 17.7407 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 50.1187 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 16.9714 | 0.1778 | 14.3909 | 39.8107 | AID2147; AID2677 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 21.3313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 25.9185 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 1.1659 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 3.9811 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 2.8184 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
PINK1 | Homo sapiens (human) | Potency | 2.5119 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 5.0119 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
formaldehyde dehydrogenase | Pseudomonas putida | Potency | 16.2313 | 0.2818 | 3.2451 | 11.4909 | AID2680 |
Parkin | Homo sapiens (human) | Potency | 2.5119 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 22.3872 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
P53 | Homo sapiens (human) | Potency | 17.7828 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
IDH1 | Homo sapiens (human) | Potency | 2.0596 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
runt-related transcription factor 1 isoform AML1b | Homo sapiens (human) | Potency | 44.6684 | 0.0200 | 7.9858 | 39.8107 | AID504374 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
core-binding factor subunit beta isoform 2 | Homo sapiens (human) | Potency | 44.6684 | 0.0200 | 7.9858 | 39.8107 | AID504374 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 6.3096 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 19.9526 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 13.0093 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
Vpr | Human immunodeficiency virus 1 | Potency | 35.4813 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 35.4813 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 5.0119 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Alpha-synuclein | Homo sapiens (human) | Potency | 15.8489 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 7.9433 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 79.4328 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[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) |
---|---|---|---|---|---|---|---|
streptokinase A precursor | Streptococcus pyogenes M1 GAS | EC50 (µMol) | 100.1690 | 0.0600 | 8.9128 | 130.5170 | AID1902; AID1914 |
Estrogen receptor | Rattus norvegicus (Norway rat) | EC50 (µMol) | 150.0000 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
Estrogen receptor beta | Rattus norvegicus (Norway rat) | EC50 (µMol) | 150.0000 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID1745849 | Viability Counterscreen for CMV-Luciferase Assay of Inhibitors of ATXN expression | |||
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. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1745846 | Firefly Luciferase Counterscreen 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. |
AID1745850 | Viability Counterscreen for Confirmatory qHTS for Inhibitors of ATXN expression | |||
AID1745848 | Confirmatory qHTS for Inhibitors of ATXN expression | |||
AID1745847 | CMV-Luciferase Counterscreen for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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 | 0 (0.00) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |