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· · COA & SDS available for every product · Same-day shipping on in-stock items SK1-I - Moligand™ , Inhibitor of sphingosine kinase 1, CAS No.S613597, Inhibitor of sphingosine kinase 1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of sphingosine kinase 1
Names and Identifiers Canonical Smiles CCCCCc1ccc(cc1)/C=C/[C@@H]([C@H](NC)CO)O IUPAC Name (2R,3S,4E)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol InChIKey JYEXUQKROPHSEF-SFDDJJRUSA-N INCHI 1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1 Isomeric SMILES CCCCCC1=CC=C(C=C1)/C=C/[C@@H]([C@@H](CO)NC)O PubChem CID 44815217
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Cinnamyl alcohols Subclass Not available Intermediate Tree Nodes Not available Direct Parent Cinnamyl alcohols Alternative Parents Styrenes Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamyl alcohol - Styrene - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 277.400 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 9 Exact Mass 277.204 Da Monoisotopic Mass 277.204 Da Topological Polar Surface Area 52.500 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 260.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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