2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile, also known as **BMS-986094**, is a potent and selective **inhibitor of the enzyme Bruton's tyrosine kinase (BTK)**.
**Why is it important for research?**
BTK is a critical enzyme involved in the signaling pathways of B cells, which are crucial for the immune system. BTK inhibition has emerged as a promising therapeutic strategy for various diseases, including:
* **Cancer:** BTK inhibitors have shown efficacy in treating certain types of blood cancers, such as chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), and Waldenström's macroglobulinemia.
* **Autoimmune disorders:** BTK inhibitors are being investigated for their potential to treat autoimmune diseases like rheumatoid arthritis, systemic lupus erythematosus, and inflammatory bowel disease.
* **Other conditions:** BTK inhibitors are also being studied for their potential in treating inflammatory conditions, neurological disorders, and even some types of infections.
**BMS-986094** has been extensively studied pre-clinically and has shown promising results in various models of these diseases. Its importance in research stems from the following:
* **Potency:** BMS-986094 is a potent BTK inhibitor, effectively blocking the enzyme's activity.
* **Selectivity:** It shows high selectivity for BTK, minimizing off-target effects and potentially leading to fewer side effects.
* **Pharmacokinetic properties:** It exhibits favorable pharmacokinetic properties, allowing for effective delivery and sustained activity in the body.
* **Clinical potential:** Its pre-clinical success has led to ongoing clinical trials to assess its safety and efficacy in treating patients with various diseases.
**In conclusion**, BMS-986094 is a key molecule in the ongoing research into BTK inhibitors. Its potency, selectivity, and favorable properties have positioned it as a potential therapeutic agent for a wide range of diseases, making it a significant focus for scientists and clinicians.
| ID Source | ID |
|---|---|
| PubMed CID | 650642 |
| CHEMBL ID | 1602213 |
| CHEBI ID | 109080 |
| Synonym |
|---|
| HMS1693E15 |
| 2-benzothiazol-2-yl-3-methyl-but-2-enenitrile |
| smr000011410 |
| MLS000030174 |
| CHEBI:109080 |
| AKOS000620973 |
| 2-(1,3-benzothiazol-2-yl)-3-methylbut-2-enenitrile |
| HMS2504L16 |
| CHEMBL1602213 |
| 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile |
| Q27188114 |
| Class | Description |
|---|---|
| benzothiazoles | |
| [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, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 10.0000 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
| thyroid hormone receptor beta isoform a | Homo sapiens (human) | Potency | 21.7123 | 0.0100 | 39.5371 | 1,122.0200 | AID1469; AID1479 |
| importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 125.8920 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
| snurportin-1 | Homo sapiens (human) | Potency | 125.8920 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 60.1198 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 31.6228 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| [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. |
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for 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. |
| AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
| AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
| [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 (14.29) | 29.6817 |
| 2010's | 5 (71.43) | 24.3611 |
| 2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||