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· · COA & SDS available for every product · Same-day shipping on in-stock items WAY 170523 - Moligand™, ≥99%(HPLC) , Inhibitor of MMP13, CAS No.307002-73-9, Inhibitor of MMP13
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. ≥99%(HPLC) Synonyms
N-[2-[4-[[[2-[(Hydroxyamino)carbonyl]-4,6-dimethylphenyl](phenylmethyl)amino]sulfonyl]phenoxy]ethyl]-2-benzofurancarboxamide
Storage
Room temperature,Desiccated
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Why this grade Moligand™, ≥99%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal 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 Synonyms
N-[2-[4-[[[2-[(Hydroxyamino)carbonyl]-4, 6-dimethylphenyl](phenylmethyl)amino]sulfonyl]phenoxy]ethyl]-2-benzofurancarboxamide
Specifications & Purity
Moligand™, ≥99%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective inhibitor of MMP-13 (IC50values are 17, 945, > 1000 and > 10000 nM for MMP-13, MMP-9, TACE and MMP-1 respectively).
Storage
Room temperature, Desiccated
Mechanism of action
Inhibitor of MMP13
Names and Identifiers Canonical Smiles CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C IUPAC Name N-[2-[4-[benzyl-[2-(hydroxycarbamoyl)-4,6-dimethylphenyl]sulfamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide InChIKey FARMEEAGJWMFSZ-UHFFFAOYSA-N INCHI 1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37) Isomeric SMILES CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C PubChem CID 9830392 Molecular Weight 613.68
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 Benzenoids Class Benzene and substituted derivatives Subclass Sulfanilides Intermediate Tree Nodes Not available Direct Parent Sulfanilides Alternative Parents Benzenesulfonamides Benzenesulfonyl compounds Benzofurans Benzoic acids and derivatives m-Xylenes 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Furoic acid and derivatives Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Hydroxamic acids Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzenesulfonamide - Sulfanilide - Benzofuran - Benzoic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - M-xylene - Xylene - Benzoyl - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Secondary carboxylic acid amide - Hydroxamic acid - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 61.37, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 61.37, Max Conc. mM: 100 Molecular Weight 613.700 g/mol XLogP3 5.300 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 11 Exact Mass 613.188 Da Monoisotopic Mass 613.188 Da Topological Polar Surface Area 147.000 Ų Heavy Atom Count 44 Formal Charge 0 Complexity 1050.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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