1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester is a complex organic molecule with a long chemical name. It is often abbreviated as **compound 1**.
**Here's what makes it important for research:**
* **Potential Therapeutic Agent:** This compound is a **potent inhibitor of the enzyme PDE4**. PDE4 is a key regulator of inflammation and immune responses. By inhibiting PDE4, compound 1 has shown **anti-inflammatory** and **immunosuppressive** properties in preclinical studies. This makes it a potential candidate for treating diseases like:
* **Asthma**
* **Chronic obstructive pulmonary disease (COPD)**
* **Inflammatory bowel disease (IBD)**
* **Psoriasis**
* **Multiple sclerosis**
* **Structure-Activity Relationship (SAR) Studies:** Compound 1 is often used as a starting point for **SAR studies**. These studies involve modifying the chemical structure of the molecule to understand how changes affect its activity. This information can help researchers design **more potent and selective PDE4 inhibitors** with fewer side effects.
* **Chemical Synthesis Research:** The synthesis of compound 1 itself is a challenging process that has contributed to the advancement of **organic synthesis techniques**. This is especially true for the **cyclization reactions** needed to form the pyrazole and thiazole rings.
**It's important to note that while compound 1 shows promise, it is still in the early stages of research.** More studies are needed to determine its safety and efficacy in humans before it can be used as a therapeutic agent.
ID Source | ID |
---|---|
PubMed CID | 1472845 |
CHEMBL ID | 1439990 |
CHEBI ID | 106000 |
Synonym |
---|
ethyl 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate |
MLS000546998 , |
smr000180196 |
CHEBI:106000 |
ethyl 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate |
AKOS005086764 |
HMS2396K16 |
2T-0877 |
955966-72-0 |
CHEMBL1439990 |
bdbm57318 |
cid_1472845 |
1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester |
1-[4-(2-fluorophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester |
Q27183796 |
ethyl1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate |
Class | Description |
---|---|
pyrazoles | |
[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, 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 | 25.1189 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 22.3872 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
ClpP | Bacillus subtilis | Potency | 35.4813 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 23.7781 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
PINK1 | Homo sapiens (human) | Potency | 28.1838 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
Parkin | Homo sapiens (human) | Potency | 28.1838 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 44.6684 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0018 | 15.6638 | 39.8107 | AID894 |
DNA polymerase beta | Homo sapiens (human) | Potency | 70.7946 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 31.6228 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
Vpr | Human immunodeficiency virus 1 | Potency | 12.5893 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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) | 22.6055 | 0.0600 | 8.9128 | 130.5170 | AID1902; AID1914 |
Estrogen receptor | Rattus norvegicus (Norway rat) | EC50 (µMol) | 34.3350 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
Estrogen receptor beta | Rattus norvegicus (Norway rat) | EC50 (µMol) | 34.3350 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |