The compound you're asking about, **1-(3,4-dichlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea**, is a chemical entity that has potential application in **pharmaceutical research**, particularly in the development of **anti-cancer drugs**.
Here's why it's important:
* **Structure and Properties:** The compound combines features of **aromatic rings** (phenyl, benzothiazole), **halogens** (chlorine), and **sulfonyl** groups. This specific combination of structural elements can influence its chemical properties, such as **binding affinity to biological targets** and **pharmacokinetic characteristics** (how it gets absorbed, distributed, metabolized, and excreted in the body).
* **Potential Activity:** Research has shown that compounds containing **benzothiazole** moieties, particularly those with sulfonyl groups, often exhibit **anti-cancer activity**. This is because they can interact with **cellular targets** involved in the growth and proliferation of cancer cells.
* **Mechanism of Action:** While specific mechanisms are not always fully understood in early research stages, this compound could potentially work by:
* **Inhibiting the growth of cancer cells:** By interfering with essential cellular pathways or processes.
* **Inducing apoptosis (programmed cell death):** Leading to the elimination of cancerous cells.
* **Modulating signaling pathways:** Affecting the communication between cells, thereby disrupting cancer cell growth and spread.
**Research Significance:**
The importance of this compound lies in its potential to become a **lead compound** for the development of new and effective anti-cancer drugs. Further research will focus on:
* **Biological evaluation:** Testing its efficacy and safety in preclinical studies using cell lines and animal models.
* **Structure-activity relationship (SAR):** Investigating how modifications to the molecule affect its activity, leading to the optimization of its therapeutic properties.
* **Pharmacokinetic studies:** Determining how the compound is processed by the body, including its absorption, distribution, metabolism, and excretion.
Overall, 1-(3,4-dichlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea represents a promising candidate in the search for novel cancer treatments. However, it's important to note that extensive research and clinical trials are needed to fully understand its potential benefits and risks before it can be used as a therapeutic agent.
ID Source | ID |
---|---|
PubMed CID | 1001423 |
CHEMBL ID | 1502871 |
CHEBI ID | 105750 |
Synonym |
---|
smr000178646 |
MLS000559242 |
OPREA1_114269 |
OPREA1_486066 |
AK-968/41926677 |
n-(3,4-dichlorophenyl)-n'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea |
STK433703 |
1-(3,4-dichlorophenyl)-3-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea |
1-(3,4-dichloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea |
CHEBI:105750 |
1-(3,4-dichlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea |
AKOS000538472 |
HMS2515D09 |
HMS3376B15 |
CHEMBL1502871 |
Q27183519 |
Z44590598 |
380171-87-9 |
Class | Description |
---|---|
ureas | |
[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, Cruzipain | Trypanosoma cruzi | Potency | 10.0000 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
TDP1 protein | Homo sapiens (human) | Potency | 5.8964 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
IDH1 | Homo sapiens (human) | Potency | 29.0929 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0018 | 15.6638 | 39.8107 | AID894 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 35.4813 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
AID651635 | Viability Counterscreen for 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. |
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 | |||
[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] |