The compound you described, **1-(2-furanylmethyl)-3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea**, is a complex organic molecule with potential applications in research. Let's break down its structure and its significance:
**Structure:**
* **Thiourea backbone:** This forms the core of the molecule, consisting of a sulfur atom double-bonded to a carbon atom, which is also bonded to two nitrogen atoms.
* **Substitutions:**
* **1-(2-furanylmethyl):** This part represents a furfuryl group (a 5-membered ring containing an oxygen atom) attached to the first nitrogen of the thiourea through a methylene (CHâ‚‚) bridge.
* **3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]:** This part is a long chain linked to the second nitrogen of the thiourea. It involves:
* A carbonyl group (C=O) connected to a phenyl ring (benzene ring) substituted at the para position (opposite to the carbonyl group) with a 4-morpholinylsulfonyl group.
* The entire group is linked to the thiourea nitrogen through an amino group (-NH-).
**Importance in Research:**
This complex molecule is likely of interest due to its potential biological activity, particularly in the following areas:
* **Anti-inflammatory activity:** The presence of the 4-morpholinylsulfonyl group is often associated with compounds exhibiting anti-inflammatory properties. This group can interfere with inflammatory pathways by modulating the production of pro-inflammatory mediators.
* **Antitumor activity:** The thiourea backbone and the phenyl ring with its substitutions are structural features often found in compounds with anticancer properties. Thioureas can interact with various cellular targets, potentially inhibiting tumor growth and proliferation.
* **Enzyme inhibition:** The molecule's structure may be designed to target specific enzymes. This could be useful for developing drugs for various diseases.
* **Drug delivery systems:** This molecule might be a suitable candidate for developing drug delivery systems. The presence of the furfuryl group could be exploited for its potential to enhance drug delivery to specific target tissues.
**Key Points to Consider:**
* **Exact purpose:** Without additional context, it's impossible to pinpoint the exact research goal involving this specific molecule. The specific researchers may be studying its efficacy against a particular disease, its mode of action, or its pharmacokinetic properties.
* **Further research:** This molecule is likely undergoing further research and development. Scientists would need to investigate its pharmacological properties, including its potency, selectivity, toxicity, and metabolic stability.
Overall, the complex structure of 1-(2-furanylmethyl)-3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea suggests it may possess potential therapeutic applications. Its further investigation could lead to the development of new drugs for various diseases.
ID Source | ID |
---|---|
PubMed CID | 3169072 |
CHEMBL ID | 1504276 |
CHEBI ID | 112947 |
Synonym |
---|
MLS000715091 |
smr000275070 |
ASN 03067318 , |
CHEBI:112947 |
AKOS000736221 |
1-(furan-2-ylmethyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea |
HMS2711E13 |
CHEMBL1504276 |
1-(2-furanylmethyl)-3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea |
Q27193411 |
Class | Description |
---|---|
sulfonamide | An amide of a sulfonic acid RS(=O)2NR'2. |
[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) |
---|---|---|---|---|---|---|---|
USP1 protein, partial | Homo sapiens (human) | Potency | 1.2589 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 8.9125 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 0.7079 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
geminin | Homo sapiens (human) | Potency | 16.3601 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
[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. |
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 | |||
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 | |||
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. |
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. |
[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] |