You're describing a compound with a very specific chemical structure. Let's break it down:
**1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester**
* **1,2,5-oxadiazole:** A five-membered ring containing one oxygen atom and two nitrogen atoms.
* **4-amino:** An amino group (-NH2) is attached to the 4th position of the oxadiazole ring.
* **3-yl:** Indicates that the oxadiazole ring is attached to the rest of the molecule at the 3rd position.
* **4-triazolecarboxylic acid:** A triazole ring (a five-membered ring with three nitrogen atoms) containing a carboxylic acid group (-COOH) at the 4th position.
* **5-(4-ethoxyphenyl):** A phenyl ring (C6H5) with an ethoxy group (-OCH2CH3) at the 4th position, attached to the 5th position of the triazole ring.
* **ethyl ester:** The carboxylic acid group is esterified with an ethyl group (-CH2CH3).
**Importance in Research:**
This compound is likely being studied for its potential **biological activity**. Here's why:
* **Heterocyclic Rings:** The oxadiazole and triazole rings are common structural features in compounds with pharmacological properties. They can interact with biological targets like enzymes or receptors.
* **Amino Group:** The amino group can be modified to alter the compound's properties. It can act as a hydrogen bond donor, impacting its interactions with other molecules.
* **Ethoxyphenyl Group:** This group adds lipophilicity (fat-loving nature) to the molecule, potentially affecting its ability to cross cell membranes.
* **Ester Group:** This group can be hydrolyzed (broken down) by enzymes in the body, potentially leading to a release of the active compound.
**Possible Research Applications:**
* **Anti-cancer:** Many compounds with similar structural features have shown promising anti-cancer activity.
* **Anti-inflammatory:** The compound could potentially inhibit inflammatory pathways.
* **Anti-microbial:** It might have activity against bacteria or fungi.
* **Other Therapeutic Applications:** The compound could be explored for its potential to treat other diseases.
**Important Note:** Without further context, it's impossible to say definitively why this specific compound is being investigated. It is likely part of a larger research program aimed at identifying new therapeutic agents.
ID Source | ID |
---|---|
PubMed CID | 1263575 |
CHEMBL ID | 1597691 |
CHEBI ID | 123314 |
Synonym |
---|
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1h-1,2,3-triazole-4-carboxylate |
smr000020593 |
MLS000043577 , |
CHEBI:123314 |
AKOS001685315 |
STK772122 |
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carboxylate |
CCG-118466 |
HMS2299J05 |
CHEMBL1597691 |
ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1,2,3-triazole-4-carboxylate |
1-(4-aminofurazan-3-yl)-5-p-phenetyl-triazole-4-carboxylic acid ethyl ester |
bdbm68487 |
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester |
cid_1263575 |
Q27213023 |
sr-01000087640 |
SR-01000087640-1 |
nsc-763867 |
nsc763867 |
Class | Description |
---|---|
triazoles | An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. |
[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 | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 39.8107 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 7.9433 | 0.0398 | 16.7842 | 39.8107 | AID995 |
[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) |
---|---|---|---|---|---|---|---|
glycogen synthase kinase-3 beta isoform 1 | Homo sapiens (human) | EC50 (µMol) | 19.9700 | 0.2125 | 22.1562 | 83.9400 | AID434954 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[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] |