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· · COA & SDS available for every product · Same-day shipping on in-stock items I-SAP - Moligand™ , Antagonist of TP receptor, CAS No.133538-58-6, Antagonist of TP receptor
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
Antagonist of TP receptor
Names and Identifiers Canonical Smiles CC1(C2CC1C(C(C2)NS(=O)(=O)C3=CC=C(C=C3)I)CC=CCCCC(=O)O)C IUPAC Name (Z)-7-[(1S,2S,3S,5R)-3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid InChIKey SZNMERGTFJHNSM-JAWYFFTGSA-N INCHI 1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3-/t15-,18+,19+,20+/m1/s1 Isomeric SMILES CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)NS(=O)(=O)C3=CC=C(C=C3)I)C/C=C\CCCC(=O)O)C PubChem CID 5312147 MeSH Entry Terms 7-(6,6-dimethyl-3-(4-iodobenzenesulfonylamino)bicyclo(3.1.1.)hept-2-yl)-5-heptenoic acid;ISAP acid
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 Lipids and lipid-like molecules Class Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Bicyclic monoterpenoids Alternative Parents Aromatic monoterpenoids Benzenesulfonamides Benzenesulfonyl compounds Medium-chain fatty acids Halogenated fatty acids Iodobenzenes Unsaturated fatty acids Organosulfonamides Aryl iodides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organoiodides Molecular Framework Aromatic homopolycyclic compounds Substituents Aromatic monoterpenoid - Pinane monoterpenoid - Bicyclic monoterpenoid - Benzenesulfonamide - Benzenesulfonyl group - Medium-chain fatty acid - Iodobenzene - Halobenzene - Halogenated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Organosulfonic acid amide - Aryl iodide - Aryl halide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 531.400 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 531.094 Da Monoisotopic Mass 531.094 Da Topological Polar Surface Area 91.900 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 707.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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