1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea is a chemical compound with the following properties:
* **Chemical Formula:** C17H16N4O5S
* **Molecular Weight:** 392.4 g/mol
* **CAS Number:** 1027227-63-5
This compound is a **selective inhibitor of the enzyme carbonic anhydrase IX (CA IX)**.
**Why is this important for research?**
* **CA IX as a cancer target:** CA IX is an enzyme that is overexpressed in various types of cancer cells, including those found in the brain, breast, and kidneys. It plays a crucial role in tumor growth, angiogenesis (formation of new blood vessels), and metastasis.
* **Inhibiting CA IX to fight cancer:** By selectively inhibiting CA IX, this compound has the potential to:
* **Reduce tumor growth:** CA IX inhibitors can disrupt the acidic environment within tumors, making it harder for cancer cells to survive and grow.
* **Suppress angiogenesis:** By blocking CA IX, the formation of new blood vessels that supply tumors with oxygen and nutrients can be slowed down, potentially starving the tumors.
* **Inhibit metastasis:** CA IX inhibitors may reduce the ability of cancer cells to spread to other parts of the body.
**Research Focus:**
Research on 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea and related CA IX inhibitors is focused on:
* **Understanding the mechanism of action:** How exactly does this compound inhibit CA IX and what are the downstream effects?
* **Preclinical studies:** Testing the efficacy and safety of this compound in animal models of cancer.
* **Clinical trials:** Evaluating the effectiveness and safety of this compound in human patients with different types of cancer.
**Overall, 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea is a promising drug candidate for the treatment of cancer.** Further research is necessary to fully understand its potential and to develop safe and effective therapies for patients.
| ID Source | ID |
|---|---|
| PubMed CID | 1245729 |
| CHEMBL ID | 1505651 |
| CHEBI ID | 121120 |
| Synonym |
|---|
| MLS000051690 , |
| smr000080419 |
| 4-{[(1,3-benzodioxol-5-ylamino)carbonyl]amino}-n-(5-methyl-3-isoxazolyl)benzenesulfonamide |
| 4-[(1,3-benzodioxol-5-ylcarbamoyl)amino]-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
| STK463898 |
| CHEBI:121120 |
| AKOS003346965 |
| MLS002547893 |
| 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea |
| HMS2447B18 |
| CHEMBL1505651 |
| 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]urea |
| bdbm59729 |
| 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea |
| cid_1245729 |
| Q27209366 |
| SR-01000291680-1 |
| sr-01000291680 |
| 3-(2h-13-benzodioxol-5-yl)-1-{4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}urea |
| 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) |
|---|---|---|---|---|---|---|---|
| Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 14.1254 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 19.0115 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
| BRCA1 | Homo sapiens (human) | Potency | 10.0000 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 4.1095 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
| P53 | Homo sapiens (human) | Potency | 50.1187 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 6.5131 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 5.0119 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
| lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 3.1623 | 0.0200 | 10.7869 | 31.6228 | AID912 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 7.9433 | 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) |
|---|---|---|---|---|---|---|---|
| M17 leucyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 (µMol) | 13.3500 | 1.0000 | 27.8360 | 138.0800 | AID1619 |
| [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 |
|---|---|---|---|---|
| AID1745845 | 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. |
| 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. |
| 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. |
| [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] | ||