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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. ≥98% Synonyms
HY-104037 | CINTIRORGON [WHO-DD] | MS-30640 | Cintirorgon [INN] | WLN: ER DYR&O2N1&1 &GH | LYC-55716 | A16863 | BCP28882 | Cintirorgon | 2055536-64-4 | LPN433P0EA | Z57459594 | 3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)s
Shipped In
Ice chest + Ice pads
Descripción general Information
Cintirorgon (LYC-55716) Cintirorgon (LYC-55716) is a selective, first-in-class, oral, small-molecule investigational agent that selectively activates RORγ .
Targets
RORγ
Specifications Sinónimos
HY-104037 | CINTIRORGON [WHO-DD] | MS-30640 | Cintirorgon [INN] | WLN: ER DYR&O2N1&1 &GH | LYC-55716 | A16863 | BCP28882 | Cintirorgon | 2055536-64-4 | LPN433P0EA | Z57459594 | 3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)s
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
Cintirorgon (LYC-55716) is a selective, first-in-class, oral, small-molecule investigational agent that selectively activates RORγ.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Mecanismo de acción
Agonist of RAR-related orphan receptor-γ
Nombres e identificadores Sonrisas canónicas CC(C)(CC1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O IUPAC Name 3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid InChIKey GULSIMHVQYBADX-FQEVSTJZSA-N INCHI 1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1 Isómeros SMILES CC(C)(C[C@H]1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O CAS alternativo 2055536-64-4 Términos de entrada MeSH 2H-1,4-Benzoxazine-2-propanoic acid, 6-(3-(difluoromethoxy)-5-fluorophenyl)-3,4-dihydro-alpha,alpha-dimethyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)-, (2S)-;3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)sulfonyl)-3,4-dihydro Peso molecular 603.53 Reaxy-Rn 41622504 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41622504&ln=
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 Organoheterocyclic compounds Clase Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Trifluoromethylbenzenes Benzomorpholines Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Sulfonyls Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Trifluoromethylbenzene - Benzoxazine - Benzomorpholine - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Oxazinane - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility (25°C) In vitro DMSO: 100 mg/mL (165.69 mM); Ethanol: 100 mg/mL (165.69 mM); Water: Insoluble; Peso molecular 603.500 g/mol XLogP3 6.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 13 Rotatable Bond Count 8 Exact Mass 603.115 Da Monoisotopic Mass 603.115 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 41 Formal Charge 0 Complexity 1020.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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