The compound you've described is a complex organic molecule with a long and descriptive name. It's helpful to break it down to understand its significance in research:
* **(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester**
Let's unpack the key parts:
1. **(2S)-2...3-phenylpropanoic acid tert-butyl ester:** This indicates the core structure of the molecule is a **tert-butyl ester** of a **phenylpropanoic acid** derivative. This type of structure is commonly found in pharmaceuticals and can be modified to create various bioactive compounds.
2. **(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl:** This portion of the molecule contains a **phenyl group** and a **ketone** (1-oxo), with a **tert-butyl group** attached via an **ether** linkage. This structure is likely a **modified amino acid** or a derivative of a known **bioactive compound**.
3. **4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl:** This part features an **imidazole ring** with a complex substituent. Imidazole rings are frequently found in biologically active molecules, including **histamine** and **purines**.
4. **(2S) ... amino ... amino ... oxomethyl:** This indicates the presence of **amide bonds** and **amine groups**. These are common functional groups in peptides and proteins, suggesting this molecule may be related to a **peptide analog** or **protein mimic**.
**Why is this molecule important for research?**
Based on its structure, this compound likely has potential for pharmaceutical or biological research. Here are some reasons:
* **Drug discovery:** The presence of multiple functional groups and the potential for modifications suggest it could be explored as a **lead compound** for the development of new drugs.
* **Bioactivity:** The combination of an imidazole ring, modified amino acids, and a ketone group suggests it could interact with biological targets, potentially exhibiting **enzyme inhibition**, **receptor modulation**, or other pharmacological effects.
* **Bioconjugation:** The tert-butyl ester group could be used to attach this molecule to other molecules, enabling its use in **bioconjugation** research, where molecules are linked together to create new functionalities.
* **Probing biological processes:** This complex molecule could be used as a **tool** to understand specific biological processes by studying its interactions with different biological systems.
**However, without more information, it's impossible to know the exact purpose of this compound in research.**
To understand its specific importance, you'd need additional context like:
* **Its source:** Was it isolated from a natural source or synthesized?
* **Its biological target:** Does it interact with a known protein or receptor?
* **Its activity:** What biological effects does it exhibit?
* **The research group that synthesized or studied it:** What are their research interests?
Once you have this information, you can better understand its significance in scientific research.
ID Source | ID |
---|---|
PubMed CID | 476810 |
CHEMBL ID | 1351406 |
CHEBI ID | 121898 |
Synonym |
---|
tert-butyl (2s)-2-[[4-[[(1s)-1-benzyl-2-tert-butoxy-2-oxo-ethyl]carbamoyl]-1h-imidazole-5-carbonyl]amino]-3-phenyl-propanoate |
1h-imidazole-4,5-dicarbaldehyde bis[l-phenylalanine-t-butyl ester |
(s)-2-({1-[5-((s)-1-t-butoxycarbonyl-2-phenyl-ethylcarbamoyl)-1h-imidazol-4-yl]-methanoyl}-amino)-3-phenyl-propionic acid t-butyl ester |
MLS000849532 |
smr000463885 |
CHEBI:121898 |
tert-butyl (2s)-2-[[4-[[(2s)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1h-imidazole-5-carbonyl]amino]-3-phenylpropanoate |
HMS2222A15 |
CHEMBL1351406 |
Q27210506 |
(2s)-2-[[[4-[[[(2s)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1h-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester |
Class | Description |
---|---|
phenylalanine derivative | An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues. |
tert-butyl ester | A carboxylic ester resulting from the formal condensation of a carboxylic acid with tert-butanol. |
[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 | 44.6684 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 16.4687 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 14.1254 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
Smad3 | Homo sapiens (human) | Potency | 14.5279 | 0.0052 | 7.8098 | 29.0929 | AID588855; AID720534; AID720536; AID720537 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 4.4668 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
67.9K protein | Vaccinia virus | Potency | 20.0850 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 56.2341 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
DNA polymerase beta | Homo sapiens (human) | Potency | 15.8489 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 44.6684 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 31.6228 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 28.1838 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 28.1838 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 28.1838 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.1652 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 28.6288 | 6.3096 | 60.2008 | 112.2020 | AID720707; AID720709 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cortical actin cytoskeleton | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
microvillus | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
endomembrane system | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
lamellipodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
filopodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
extracellular exosome | Rap guanine nucleotide exchange factor 3 | 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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | 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] |