The compound you described, (2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester, is a complex molecule with a specific chemical structure. However, it's important to understand that its significance is primarily tied to its role in research, rather than a specific application or common name.
Here's a breakdown of the compound's structure and potential significance in research:
**Structure:**
* **(2S):** This indicates a stereochemical configuration. The S stands for sinister and refers to the specific arrangement of atoms around a chiral center, in this case, the carbon atom at position 2.
* **4-methyl:** A methyl group (CH3) is attached to the fourth carbon atom of the molecule.
* **2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]:** This indicates a complex functional group. It describes a substituted amine group (NH2) attached to the second carbon atom. This group is further substituted with a carbonyl group (C=O) and a 1,2,3,4-tetrahydronaphthalen-1-ylamino group.
* **pentanoic acid:** This refers to a five-carbon carboxylic acid chain.
* **methyl ester:** This indicates that the carboxylic acid group is esterified with a methyl group (CH3), meaning the -OH group of the acid is replaced with an -OCH3 group.
**Significance in Research:**
This molecule's significance lies in its potential to be a valuable research tool. It might be used for the following:
* **Drug Discovery:** The complex structure of this compound could make it an interesting starting point for developing new drugs. The presence of specific functional groups (amines, carbonyls) could contribute to its activity against specific biological targets.
* **Chemical Synthesis:** The molecule's structure may make it a useful building block or intermediate in the synthesis of other complex molecules.
* **Biological Studies:** This molecule might be used as a probe to study specific cellular processes. It could interact with proteins or enzymes, providing insights into their function.
**Important Note:** It's crucial to understand that without additional context or information about the research being conducted, it's impossible to say definitively why this specific molecule is important. The research context and goals would determine its actual significance.
To gain further understanding, you would need additional information about the specific research project involving this molecule, such as:
* What are the intended targets or pathways being investigated?
* What are the molecule's proposed properties or functions?
* What are the experimental methods being used?
By knowing the context, you can better understand the compound's importance and its role in scientific discovery.
ID Source | ID |
---|---|
PubMed CID | 664321 |
CHEMBL ID | 1600912 |
CHEBI ID | 120676 |
Synonym |
---|
MLS000042141 , |
smr000045326 |
CHEBI:120676 |
methyl (2s)-4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pentanoate |
HMS2173B12 |
CHEMBL1600912 |
Q27208810 |
(2s)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester |
AKOS032389186 |
Class | Description |
---|---|
leucine derivative | An amino acid derivative resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of leucine by a heteroatom. The definition normally excludes peptides containing leucine residues. |
[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 | 8.9125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 0.8913 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 15.8489 | 0.6561 | 9.4520 | 25.1189 | AID927 |
geminin | Homo sapiens (human) | Potency | 1.1582 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 15.8489 | 1.5849 | 13.0043 | 25.1189 | AID927 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 39.8107 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
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. |
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. |
[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] |