The compound you described, **1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine**, is a complex organic molecule with a specific structure that likely has potential in various research fields.
Here's a breakdown of its components and why it could be important:
**Structure:**
* **Tetrazole ring:** The presence of a tetrazole ring is a common feature in pharmaceuticals. Tetrazoles are known for their diverse pharmacological activities, such as anti-inflammatory, antibacterial, and anticancer properties.
* **tert-Butyl group:** The tert-butyl group provides steric hindrance, potentially influencing the molecule's interaction with biological targets.
* **Pyridine ring:** Pyridine rings are prevalent in drugs and often contribute to their activity by interacting with biological receptors.
* **Phenylmethyl group:** This group (also known as benzyl) can be involved in interactions with enzymes or receptors, affecting their function.
* **Thiophene ring:** Thiophenes are known for their diverse biological activities, including anti-inflammatory, anti-cancer, and antimicrobial properties.
**Potential Applications:**
Based on its structure, this molecule could be investigated as a potential candidate for:
* **Pharmaceutical Research:** The combination of a tetrazole ring, pyridine ring, and other functional groups suggests potential for developing drugs targeting various biological pathways. This could lead to the discovery of new medications for diseases such as cancer, inflammation, or infections.
* **Chemical Biology Research:** The molecule could be used as a tool to study biological processes by modulating the activity of enzymes or receptors. This could shed light on the mechanisms of action of these targets and contribute to our understanding of biological pathways.
* **Materials Science Research:** The unique structure of the molecule could be exploited for its potential applications in materials science, such as developing new polymers or functional materials.
**Importance for Research:**
The importance of this molecule for research lies in its unique structural features and the potential it holds for various applications.
**However, it's crucial to remember that the specific properties and potential applications of this molecule need to be experimentally investigated.** The structure alone doesn't guarantee any specific activity or usefulness. Researchers need to synthesize the molecule, characterize its properties, and conduct further studies to determine its potential applications and biological activity.
In summary, 1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine is a complex organic molecule with a unique structure that holds promise for future research in various fields, especially in pharmaceuticals and chemical biology.
ID Source | ID |
---|---|
PubMed CID | 3229350 |
CHEMBL ID | 1464930 |
CHEBI ID | 116933 |
Synonym |
---|
MLS000529506 , |
benzyl-[(1-tert-butyl-1h-tetrazol-5-yl)-pyridin-3-yl-methyl]-thiophen-2-ylmethyl-amine |
smr000121981 |
CHEBI:116933 |
n-benzyl-1-(1-tert-butyltetrazol-5-yl)-1-pyridin-3-yl-n-(thiophen-2-ylmethyl)methanamine |
AKOS000756093 |
HMS2349I08 |
CHEMBL1464930 |
REGID_FOR_CID_3229350 |
1-(1-tert-butyl-5-tetrazolyl)-n-(phenylmethyl)-1-(3-pyridinyl)-n-(thiophen-2-ylmethyl)methanamine |
Q27203356 |
SR-01000332853-1 |
sr-01000332853 |
Class | Description |
---|---|
aromatic amine | An amino compound in which the amino group is linked directly to an aromatic system. |
[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 | 28.1838 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 8.9125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 23.7246 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 20.5962 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 15.8489 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 3.5481 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
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 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 10.4756 | 28.1838 | AID901 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 15.8489 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for 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. |
[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] |