2-(1,3-benzodioxol-5-ylamino)-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide is a complex organic molecule with a long chemical name.
Let's break down its structure and potential significance for research:
* **Structure:** The molecule consists of:
* **A benzodioxol ring:** This is a six-membered ring with two oxygen atoms and a benzene ring.
* **An amino group:** This is a nitrogen atom with two hydrogen atoms attached, linked to the benzodioxol ring.
* **A cyclohexyl group:** This is a six-membered ring of carbon atoms, linked to the nitrogen of the amino group.
* **A trimethoxyphenyl group:** This is a benzene ring with three methoxy groups (CH3O-) attached.
* **An acetamide group:** This is a carbonyl group (C=O) linked to a nitrogen atom, which is itself linked to a methyl group (CH3).
* **Potential Research Significance:** Based on its structure, this molecule could have several potential applications in research, particularly in the fields of:
* **Pharmacology:** The presence of an amino group and a benzodioxol ring suggests potential activity as a **pharmacological agent**. For example, it could act as a **receptor agonist or antagonist**.
* **Medicinal Chemistry:** The molecule's structure could be modified to create new compounds with specific biological activities.
* **Material Science:** The presence of a benzodioxol ring and a trimethoxyphenyl group could indicate potential properties as a **polymer or a material with unique optical or electronic properties**.
**However, without further information, it's impossible to say definitively why this specific molecule is important for research.** To determine its significance, we would need more context:
* **Where did you encounter this molecule?** Was it in a scientific paper, a patent, or a database?
* **What was the research question or goal?** What was the experiment or study trying to achieve?
* **What are the molecule's known properties?** Does it have any specific biological activities or other interesting characteristics?
By providing more information, you can help us understand the specific research context and why this molecule is relevant.
ID Source | ID |
---|---|
PubMed CID | 646647 |
CHEMBL ID | 1517431 |
CHEBI ID | 116256 |
Synonym |
---|
2-(benzo[1,3]dioxol-5-ylamino)-n-cyclohexyl-2-(3,4,5-trimethoxy-phenyl)-acetamide |
MLS000880337 |
smr000013667 |
MLS000073371 |
CHEBI:116256 |
2-(1,3-benzodioxol-5-ylamino)-n-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide |
NCGC00033745-02 |
HMS2323J24 |
CHEMBL1517431 |
sr-01000362504 |
SR-01000362504-1 |
Q27199100 |
Class | Description |
---|---|
amino acid amide | An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group. |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 25.1189 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 17.7407 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 19.9526 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 19.9526 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 79.4328 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 4.4668 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 0.6310 | 0.0126 | 10.6917 | 88.5700 | AID887 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 12.5893 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 11.2202 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 0.6310 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
hypothetical protein, conserved | Trypanosoma brucei | Potency | 3.1623 | 0.2239 | 11.2451 | 35.4813 | AID624173 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 0.3162 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 39.8107 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 2.8184 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 8.1995 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 1.5849 | 0.0398 | 16.7842 | 39.8107 | AID995 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 12.5893 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 39.8107 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 39.8107 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 31.6228 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 17.7828 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
nucleus | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
cytosol | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
cytoskeleton | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
plasma membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
adherens junction | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
focal adhesion | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
extracellular exosome | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
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. |
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. |
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. |
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] |