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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
product description:
A cell-permeable nitrostyrene compound that acts as a selective inhibitor of Syk kinase activity (IC50 = 2.5 µM). It inhibits Src only at much higher concentrations (IC50 = 29.3 µM) and exhibits little effect against Fak and JAK2. Shown to potently inhibit platelet aggregation induced by various stimulators, including U46619, ADP, arachidonic acid, collagen, thrombin, ionophore A23187, and PDBu (IC50 ranges from 2.1 to 25.9 µM).
Selective inhibitor of Src and Syk tyrosine kinases. Displays antiaggregative activity via inhibition of GPIIb/IIIa activation (IC50 = 12.7 μM for thrombin-induced platelet aggregation). Exhibits no effects on Ca2+-dependent enzymes, PKC or arachidonic ac
| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-[(E)-2-nitroethenyl]-1,3-benzodioxole |
| InChIKey | KFLWBZPSJQPRDD-ONEGZZNKSA-N |
| INCHI | 1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+ |
| Isomeric SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/[N+](=O)[O-] |
| Molecular Weight | 193.16 |
| Reaxy-Rn | 192350 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192350&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 | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Styrenes C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Styrene - Benzenoid - C-nitro compound - Organic nitro compound - Acetal - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organopnictogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
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| Sensitivity | light &heat & air sensitive |
|---|---|
| Melt Point(°C) | >86ºC (dec.) |
| Molecular Weight | 193.160 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 193.038 Da |
| Monoisotopic Mass | 193.038 Da |
| Topological Polar Surface Area | 64.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
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