The chemical name you provided, **2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanamine**, is a complex organic molecule. It's likely a synthesized compound and not a naturally occurring one.
Here's a breakdown of the structure:
* **2-(1,3-benzodioxol-5-yl):** This part describes a benzodioxole ring system (a benzene ring with two oxygen atoms attached) with a substituent at position 5.
* **-N-[(2-ethoxyphenyl)methyl]:** This indicates an amine group (-NH-) bonded to a methylene group (-CH2-) that is connected to a phenyl ring substituted at position 2 with an ethoxy group (-OCH2CH3).
* **-N-(2-pyridinylmethyl):** This indicates another amine group bonded to a methylene group attached to a pyridine ring (a six-membered ring containing a nitrogen atom) at position 2.
* **ethanamine:** This indicates a simple amine group attached to an ethane chain (-CH2CH3).
**Why might this compound be important for research?**
It's impossible to know for sure without further context. However, given its complex structure, it's likely this compound was synthesized for research purposes. Here are some possible reasons:
* **Pharmacology:** The presence of multiple rings and amine groups suggests it could interact with biological targets and potentially have pharmacological activity. It might be studied for its potential effects on various biological systems, such as the nervous system, immune system, or cardiovascular system.
* **Materials Science:** The compound might have interesting properties that make it useful in materials science. It could potentially be used in the development of new polymers, coatings, or other materials.
* **Organic Chemistry:** The complex structure and synthesis of this compound might be of interest to organic chemists studying new reactions and synthetic methods.
**To understand the compound's importance, you would need more information about:**
* **Where it was synthesized or isolated:** Was it synthesized in a lab or isolated from a natural source?
* **What research group synthesized it:** What are their research interests?
* **What experiments were conducted with the compound:** What were the results?
Please provide more context if you have it.
ID Source | ID |
---|---|
PubMed CID | 1131786 |
CHEMBL ID | 1390311 |
CHEBI ID | 114702 |
Synonym |
---|
HMS1672M08 |
OPREA1_045450 |
OPREA1_223460 |
MLS000108328 , |
smr000104288 |
2-(1,3-benzodioxol-5-yl)-n-(2-ethoxybenzyl)-n-(pyridin-2-ylmethyl)ethanamine |
STK145971 |
CHEBI:114702 |
AKOS000551909 |
2-(1,3-benzodioxol-5-yl)-n-[(2-ethoxyphenyl)methyl]-n-(pyridin-2-ylmethyl)ethanamine |
MLS002540238 |
HMS2178D14 |
REGID_FOR_CID_1131786 |
CHEMBL1390311 |
2-(1,3-benzodioxol-5-yl)-n-[(2-ethoxyphenyl)methyl]-n-(2-pyridinylmethyl)ethanamine |
Q27196107 |
n-[2-(1,3-benzodioxol-5-yl)ethyl]-n-(2-ethoxybenzyl)-n-(2-pyridylmethyl)amine |
Class | Description |
---|---|
benzodioxoles | |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 2.8184 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 19.9054 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 3.1623 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 11.2202 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 28.1838 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 22.7265 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 15.8489 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 35.4813 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 5.0119 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 10.0000 | 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 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 17.7828 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 19.1180 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 25.1189 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 25.1189 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 10.0000 | 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) |
---|---|---|---|---|---|---|---|
rac GTPase-activating protein 1 isoform a | Homo sapiens (human) | IC50 (µMol) | 172.2000 | 7.3900 | 57.8904 | 301.2400 | AID624330 |
[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. |
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 | |||
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. |
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. |
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] |