pyrabactin: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
pyrabactin : A sulfonamide obtained by formal condensation of the sulfo group of 4-bromonaphthalene-1-sulfonic acid with the exocyclic amino group of 2-pyridylmethylamine. Mimics the action of the abscisic acid, a phytohormone. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 1125790 |
| CHEMBL ID | 1235543 |
| CHEBI ID | 73159 |
| SCHEMBL ID | 9932519 |
| MeSH ID | M0536134 |
| Synonym |
|---|
| pyrabactin a |
| chebi:73159 , |
| CHEMBL1235543 |
| STK081906 |
| 4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
| AG-690/11668981 |
| zinc00864555 , |
| OPREA1_304672 |
| pyv , |
| AKOS002288739 |
| pyrabactin |
| 419538-69-5 |
| 3NEF |
| 3NEG |
| SCHEMBL9932519 |
| Z1347692398 |
| pyrabactin, >=98% (hplc) |
| DTXSID80360553 |
| sr-01000216006 |
| SR-01000216006-1 |
| 4-bromo-n-[pyridin-2-yl methyl]naphthalene-1-sulfonamide |
| NCGC00485018-01 |
| Q7263203 |
| 1-naphthalenesulfonamide, 4-bromo-n-(2-pyridinylmethyl)- |
| L9PM5Q6DDW , |
| 4-bromo-n-(2-pyridinylmethyl)-1-naphthalenesulfonamide |
| CS-0065217 |
| unii-l9pm5q6ddw |
| HY-118115 |
| 4-bromo-n-[(pyridin-2-yl)methyl]naphthalene-1-sulfonamide |
| EN300-18528777 |
Pyrabactin is a synthetic chemical mimicking abscisic acid (ABA), a naturally occurring phytohormone orchestrating abiotic stress responses.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Pyrabactin is a synthetic abscisic acid (ABA) agonist that selectively inhibits seed germination. " | ( Functional mechanism of the abscisic acid agonist pyrabactin. Hao, Q; Li, W; Liu, L; Wang, J; Yan, C; Yan, N; Yin, P; Yuan, X; Zhang, Z, 2010) | 2.06 |
| "Pyrabactin is a synthetic chemical mimicking abscisic acid (ABA), a naturally occurring phytohormone orchestrating abiotic stress responses." | ( Structural determinants for pyrabactin recognition in ABA receptors in Oryza sativa. Han, S; Kim, BG; Kim, TH; Lee, S; Lee, Y; Min, MK; Park, EJ, 2019) | 1.53 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
| Role | Description |
|---|---|
| hormone | Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. |
| plant growth regulator | A chemical, natural or artificial, that can affect the rate of growth of a plant. |
| abscisic acid receptor agonist | An agonist that binds to and activates abscisic acid receptors. |
| [role 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] | |
| Class | Description |
|---|---|
| sulfonamide | An amide of a sulfonic acid RS(=O)2NR'2. |
| pyridines | Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. |
| naphthalenes | Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. |
| organobromine compound | A compound containing at least one carbon-bromine bond. |
| [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 | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Abscisic acid receptor PYL1 | Arabidopsis thaliana (thale cress) | IC50 (µMol) | 1.1400 | 1.1400 | 1.1400 | 1.1400 | AID977608 |
| Chain A, Abscisic acid receptor PYL1 | Arabidopsis thaliana (thale cress) | IC50 (µMol) | 1.1400 | 1.1400 | 1.1400 | 1.1400 | AID977608 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID977608 | Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB | 2010 | The Journal of biological chemistry, Sep-10, Volume: 285, Issue:37 | Functional mechanism of the abscisic acid agonist pyrabactin. |
| AID506794 | Growth inhibition of Arabidopsis thaliana ecotype KZ1 assessed as inhibition of germination | 2007 | Nature chemical biology, Nov, Volume: 3, Issue:11 | Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated. |
| [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 | 2 (6.67) | 29.6817 |
| 2010's | 22 (73.33) | 24.3611 |
| 2020's | 6 (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 moderate demand-to-supply ratio for research on this compound.
| This Compound (24.80) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 3 (9.68%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 28 (90.32%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||