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· · COA & SDS available for every product · Same-day shipping on in-stock items
Shipped In
Ice chest + Ice pads
Overview Information
CAY10698 is an inhibitor of 12-lipoxygenase (12-LO) with IC50 of 5.1 µM.
Specifications Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
CAY10698 is an inhibitor of 12-lipoxygenase (12-LO) with IC50 of 5.1 µM.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 IUPAC Name 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide InChIKey CENSVXZQMJBVHY-UHFFFAOYSA-N INCHI 1S/C17H17N3O4S2/c1-24-15-4-2-3-12(16(15)21)11-19-13-5-7-14(8-6-13)26(22,23)20-17-18-9-10-25-17/h2-10,19,21H,11H2,1H3,(H,18,20) Isomeric SMILES COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 Molecular Weight 391.46 Reaxy-Rn 26556073 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26556073&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Phenylmethylamines Intermediate Tree Nodes Not available Direct Parent Phenylbenzamines Alternative Parents Aminobenzenesulfonamides Methoxyphenols Benzenesulfonyl compounds Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Benzylamines 1-hydroxy-4-unsubstituted benzenoids Secondary alkylarylamines Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thiazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylbenzamine - Aminobenzenesulfonamide - Methoxyphenol - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenol ether - Benzylamine - Anisole - Phenoxy compound - Alkyl aryl ether - Phenol - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Thiazole - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. 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 Molecular Weight 391.500 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 391.066 Da Monoisotopic Mass 391.066 Da Topological Polar Surface Area 137.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 535.000 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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