That's a mouthful! Let's break down this chemical name and its potential significance for research:
**1. The Chemical Name:**
* **1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide:** This is a very specific name describing a complex organic molecule. Let's analyze the key components:
* **1-[2-(3,4-dimethoxyphenyl)ethyl]**: This part indicates a side chain attached to the main molecule. It features a phenyl group (a benzene ring) with two methoxy groups (CH3O-) attached at positions 3 and 4, followed by an ethyl group (-CH2CH3).
* **2-imino-10-methyl-5-oxo**: These indicate specific functional groups and substituents on the core structure of the molecule. Imino suggests a nitrogen atom double-bonded to a carbon atom. Oxo implies a carbonyl group (C=O).
* **3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide**: This is the heart of the molecule. It describes a fused ring system built from two pyridine rings (dipyrido) linked to a pyrimidine ring. A carboxamide group (-CONH2) is attached at position 3.
* **N-(2-oxolanylmethyl)**: This refers to another side chain attached to the carboxamide group. It contains a 2-oxolanyl group (a five-membered ring containing an oxygen atom) with a methyl group (-CH3) attached.
**2. Potential Research Importance:**
The name strongly suggests this molecule might be a **drug candidate** or a **chemical probe** for research. Here's why:
* **Complex Structure:** Complex molecules with diverse functional groups and ring systems are often associated with biological activity.
* **Pyrimidine Ring:** Pyrimidine is a crucial building block of DNA and RNA, making this molecule potentially relevant for nucleic acid interactions.
* **Carboxamide Group:** Carboxamide groups are commonly found in drugs, often involved in interactions with biological targets.
* **Side Chains:** The various side chains can provide opportunities for tuning the molecule's properties, such as solubility, target affinity, and stability.
**Research Areas of Interest:**
This molecule could be investigated in the following areas:
* **Anti-cancer Research:** Pyrimidine derivatives are often studied for their potential to inhibit cancer cell growth.
* **Antiviral Research:** Molecules interacting with nucleic acids could potentially disrupt viral replication.
* **Neuroscience Research:** Some pyrimidine derivatives have been explored for their effects on neurotransmission.
**Key Points:**
* The chemical name provides a precise description of the molecule's structure.
* The structure suggests potential biological activity and research relevance.
* Further investigation is needed to understand this molecule's specific properties and potential applications.
**Finding More Information:**
To learn more about this specific compound, you'd need to search for its CAS number (Chemical Abstracts Service Registry Number). This unique identifier will provide access to databases that contain its properties, potential uses, and related research articles.
ID Source | ID |
---|---|
PubMed CID | 4015762 |
CHEMBL ID | 1325432 |
CHEBI ID | 115101 |
Synonym |
---|
MLS001139221 |
smr000647254 |
CHEBI:115101 |
STK707327 |
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-n-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide |
HMS2927C07 |
AKOS005182143 |
MLS003903597 |
CHEMBL1325432 |
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-n-(2-oxolanylmethyl)-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide |
Q27196945 |
848683-20-5 |
7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-2-oxo-n-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide |
Class | Description |
---|---|
pyridopyrimidine | Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring. |
[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) |
---|---|---|---|---|---|---|---|
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 2.8455 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
glucocerebrosidase | Homo sapiens (human) | Potency | 0.8913 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 0.5805 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 125.8920 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 5.6919 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
snurportin-1 | Homo sapiens (human) | Potency | 5.6919 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 0.1636 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
geminin | Homo sapiens (human) | Potency | 11.9518 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 5.0119 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
DNA repair and recombination protein RAD54-like isoform 1 | Homo sapiens (human) | AC50 | 14.3600 | 0.8140 | 19.3119 | 78.9500 | AID651657 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
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 |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for 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] |