1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone is a chemical compound with the following features:
* **Structure:** It's a derivative of isoquinoline, a heterocyclic aromatic compound containing a benzene ring fused to a pyridine ring. It has a butanone (ketone) group attached to the isoquinoline ring, along with two methoxy groups (CH3O-) at positions 6 and 7 on the ring.
* **Potential Applications:** This compound is a **potential lead compound for drug discovery**. This means it's being studied for its potential to bind to specific biological targets and exert pharmacological effects.
**Why It's Important for Research:**
While specific information about the research on this compound is not publicly available, compounds like this are important for research because:
* **Diversity of Possible Targets:** Isoquinoline derivatives are known to exhibit a wide range of biological activities, including anti-inflammatory, anti-cancer, anti-microbial, and neuroprotective effects. The specific structure of this compound, with its substituents and ketone group, could potentially interact with different biological targets, leading to novel therapeutic applications.
* **Lead Compound Identification:** By studying the properties and activity of this compound, researchers can gain valuable information about its potential for further development. This can include identifying specific targets, understanding its pharmacokinetic properties (how it's absorbed, distributed, metabolized, and excreted), and optimizing its structure for improved efficacy and safety.
* **Structure-Activity Relationship Studies:** By modifying the structure of this compound, researchers can investigate the relationship between its structure and its biological activity. This allows them to understand which parts of the molecule are essential for its activity and how they can be altered to improve its properties.
**Overall, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone is a promising molecule for research due to its potential to lead to the development of new drugs with therapeutic benefits.**
**Note:** The specific research findings and applications of this compound are not publicly available without further investigation.
ID Source | ID |
---|---|
PubMed CID | 666585 |
CHEMBL ID | 1377576 |
CHEBI ID | 120655 |
Synonym |
---|
smr000047795 |
MLS000083613 |
CHEBI:120655 |
MLS002584413 |
1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-2-phenylbutan-1-one |
NCGC00063722-02 |
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-2-phenylbutan-1-one |
STK578481 |
HMS2362P03 |
AKOS005502407 |
CHEMBL1377576 |
Q27208786 |
1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-2-phenyl-1-butanone |
Class | Description |
---|---|
isoquinolines | A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives. |
[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 | 112.2020 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 35.7168 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 35.7168 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 12.5893 | 0.0184 | 6.8060 | 14.1254 | AID624172 |
TDP1 protein | Homo sapiens (human) | Potency | 14.5810 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 56.2341 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 19.9526 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
geminin | Homo sapiens (human) | Potency | 9.9072 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
Vpr | Human immunodeficiency virus 1 | Potency | 35.4813 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
[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] |
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] |