Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
BAY 11-7082 is a NF-κB inhibitor, inhibits TNFα-induced IκBα phosphorylation with IC50 of 10 μM. Also inhibiting components of the ubiquitin system.
An anti-inflammatory agent and NFκB inhibitor
| Pubchem Sid | 504763659 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763659 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)C=CC#N |
| IUPAC Name | (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile |
| InChIKey | DOEWDSDBFRHVAP-KRXBUXKQSA-N |
| INCHI | 1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+ |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N |
| WGK Germany | 3 |
| Molecular Weight | 207.25 |
| Reaxy-Rn | 2049370 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049370&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tosyl compounds |
| Alternative Parents | Benzenesulfonyl compounds Sulfones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tosyl compound - Benzenesulfonyl group - Sulfonyl - Sulfone - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom). |
| External Descriptors | sulfone - nitrile |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 17, 2026 | B129693 | |
| Certificate of Analysis | Jun 12, 2025 | B129693 | |
| Certificate of Analysis | Dec 21, 2024 | B129693 | |
| Certificate of Analysis | Dec 19, 2024 | B129693 | |
| Certificate of Analysis | Nov 20, 2024 | B129693 | |
| Certificate of Analysis | Nov 20, 2024 | B129693 | |
| Certificate of Analysis | Nov 20, 2024 | B129693 | |
| Certificate of Analysis | Nov 12, 2024 | B129693 | |
| Certificate of Analysis | Nov 12, 2024 | B129693 | |
| Certificate of Analysis | Aug 01, 2023 | B129693 | |
| Certificate of Analysis | Aug 01, 2023 | B129693 | |
| Certificate of Analysis | Mar 14, 2023 | B129693 | |
| Certificate of Analysis | Jun 22, 2021 | B129693 |
| Solubility | Soluble in DMSO (>25 mg/ml), ethanol (15 mg/ml), methanol, dichloromethane, DMF (~25 mg/ml), and 1:3 DMF:PBS (pH 7.2) (~0.25 mg/ml). Insoluble in water, and sparingly soluble in aqueous buffers. |
|---|---|
| Sensitivity | Light & Air & Heat sensitive |
| Melt Point(°C) | 134℃ |
| Molecular Weight | 207.250 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 207.035 Da |
| Monoisotopic Mass | 207.035 Da |
| Topological Polar Surface Area | 66.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yu Zhong, Ouyang Ling. (2023) OSR1 downregulation indicates an unfavorable prognosis and activates the NF-κB pathway in ovarian cancer. Discover Oncology, 14 (1): (1-14). [PMID:37642735] [10.1007/s12672-023-00778-0] |
| 2. Yu Shan, Yang Jinghui, Zhang Rui, Guo Qian, Wang Lu. (2024) SLC15A3 is transcriptionally regulated by HIF1α and p65 to worsen neuroinflammation in experimental ischemic stroke. MOLECULAR NEUROBIOLOGY, [PMID:38717559] [10.1007/s12035-024-04191-8] |
| 3. Ruobing Wang, Dan Su, Yueze Liu, Hua Huang, Jiangdong Qiu, Zhe Cao, Gang Yang, Hao Chen, Wenhao Luo, Jinxin Tao, Guihu Weng, Taiping Zhang. (2024) The NF-κB/NUAK2 signaling axis regulates pancreatic cancer progression by targeting SMAD2/3. iScience, [PMID:38510132] [10.1016/j.isci.2024.109406] |
| 4. Fang-Fang Liu, Hai-Yan Ren, Feng Liu, Wen-Xuan Qi, Chao-Peng Liang, Bang-Xian Zhang, Xiang-Jun Rao. (2025) Time-series RNA sequencing reveals that immulectin-1 (IML-1) is a potential target for biological control of fall armyworm, Spodoptera frugiperda. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:40139608] [10.1016/j.ijbiomac.2025.142466] |
| 5. Wen Weijia, Li Jiaying, Yuan Li, Liao Yan, Shao Caixia, Xu Dingze, Jiang Hongye, Liao Yuandong, Liu Pan, Zhang Chunyu, Yao Shuzhong, Wang Wei. (2025) PRDX3 Promotes Lymph Node Metastasis in Cervical Cancer by Activating NF-κB Signaling Pathway and Anoikis Resistance. International Journal of Medical Sciences, 22 (15): (3839-3853). [PMID:41049446] [10.7150/ijms.118912] |
| 6. Shao-Qian Wang, Hui Yuan, Hao-Qiang Qin, Ming-Yue Peng, Ming-Xiao Cui, Ke-Hai Liu. (2025) Ultrasonic extraction, Structural Characterization, and Immunoactivity of Polysaccharides From Syzygium jambos (L.) Alston. CHEMISTRY & BIODIVERSITY, [PMID:40921029] [10.1002/cbdv.202500537] |
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