You're asking about **2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile**. This is a complex organic molecule with a specific structure, and its importance lies in its potential medicinal properties.
**Here's a breakdown:**
* **Structure:** The name itself describes its chemical structure.
* **2-(4-fluorophenyl):** This indicates a phenyl group (a benzene ring) with a fluorine atom at the 4-position attached to the second carbon atom.
* **2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]:** This part describes a phenyl group with a ketone group (C=O) attached to the 4-position, where the ketone is further bound to another 4-fluorophenyl group.
* **acetonitrile:** This means the entire structure is attached to an acetonitrile group (-CH2CN).
**Importance in Research:**
* **Potential as a Drug Candidate:** This molecule is likely being investigated as a potential drug candidate for various reasons. Fluorine atoms are often incorporated into drug molecules to improve their pharmacological properties, such as:
* **Increased potency:** Fluorine can improve the binding affinity of a drug to its target.
* **Improved metabolic stability:** Fluorine can enhance the stability of a drug molecule within the body, prolonging its duration of action.
* **Enhanced bioavailability:** Fluorine can improve the absorption and distribution of a drug in the body.
* **Target for Research:** The specific structure suggests this molecule may be designed to interact with specific biological targets. It's possible this molecule could be effective against:
* **Cancer:** Some fluorinated compounds have shown anti-cancer activity.
* **Infectious diseases:** Fluorine-containing drugs have been used to treat bacterial and viral infections.
* **Neurological disorders:** Fluorinated molecules have been investigated for their potential to modulate brain activity.
**Important Note:** Without further details, it's impossible to definitively state why this particular molecule is being researched.
To understand its precise significance, you would need to look at:
* **The research papers or patents describing this molecule.**
* **The specific biological target being studied.**
* **The experimental results obtained with this molecule.**
**It's crucial to remember that many molecules in early research stages may not ultimately translate into successful drugs.** There are many hurdles in drug development, and only a small fraction of molecules studied ever make it to clinical trials.
ID Source | ID |
---|---|
PubMed CID | 2774422 |
CHEMBL ID | 1454476 |
CHEBI ID | 105256 |
Synonym |
---|
MLS000539976 , |
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile |
smr000125434 |
OPREA1_534370 |
CHEBI:105256 |
AKOS005105193 |
HMS2154B03 , |
HMS3321L15 |
339115-12-7 |
9K-015 |
bdbm39653 |
cid_2774422 |
2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)carbonylphenyl]ethanenitrile |
2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile |
CHEMBL1454476 |
DTXSID80379029 |
Q27182967 |
mfcd00232016 |
2-(4-(4-fluorobenzoyl)phenyl)-2-(4-fluorophenyl)acetonitrile |
ethyll-octahydroindole-2-carboxylatehydrochloride |
CS-0364538 |
Class | Description |
---|---|
nitrile | A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. |
[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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 19.4763 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 35.4813 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
67.9K protein | Vaccinia virus | Potency | 19.9526 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 14.5810 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 5.6234 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 12.5893 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 12.5893 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 (µMol) | 999.0000 | 0.1100 | 11.3862 | 67.2000 | AID690 |
[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) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | EC50 (µMol) | 23.1000 | 0.5500 | 33.7339 | 74.0000 | AID696 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for 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. |
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. |
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 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 (12.56) 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] |