mapracorat - Moligand™ , Glucocorticoid receptor agonist, CAS No.887375-26-0, Glucocorticoid receptor agonist

CAS: 887375-26-0 Cat. No.: M611731 Formula: C₂₅H₂₆F₄N₂O₂ Peso molecolare: 462.5 Numero EC: 690-739-0 PubChem CID: 24795088

GRADE & PURITY Moligand™

Synonyms

Mapracorat [USAN] | 2-(4-Chlorophenyl)-3-methyl-4-metathiazanone-1,1-dioxide | Mapracorat (USAN) | UNII-145V79YBVP | CHEBI:177650 | Spectrum_001434 | ZK-245186;BOL-303242X | 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide | AKOS040740648 | SC

Storage

Room temperature

Specifications

Sinonimi

Mapracorat [USAN] | 2-(4-Chlorophenyl)-3-methyl-4-metathiazanone-1,1-dioxide | Mapracorat (USAN) | UNII-145V79YBVP | CHEBI:177650 | Spectrum_001434 | ZK-245186;BOL-303242X | 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide | AKOS040740648 | SC

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Glucocorticoid receptor agonist

Proprietà del prodotto

• ALogP: 6.2

Nomi e identificatori

• Sorrisi canonici: Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C
• IUPAC Name: (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• InChIKey: VJGFOYBQOIPQFY-XMMPIXPASA-N
• INCHI: 1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1
• Isomeri SMILES: CC1=NC2=C(C=C1)C(=CC=C2)NC[C@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O
• PubChem CID: 24795088
• Peso molecolare: 462.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Coumarans Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Methylpyridines Aryl fluorides Benzenoids Tertiary alcohols Heteroaromatic compounds 1,2-aminoalcohols Fluorohydrins Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organofluorides Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Coumaran - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Methylpyridine - Aralkylamine - Aryl halide - Aryl fluoride - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - 1,2-aminoalcohol - Fluorohydrin - Halohydrin - Secondary amine - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

NR3C1 Tclin Glucocorticoid receptor (0 Activities)

Discover Target: NR3C1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 462.500 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 462.193 Da
• Monoisotopic Mass: 462.193 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 675.000
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 887375-26-0, the molecular formula is C25H26F4N2O2, and the molecular weight is 462.5 g/mol. InChIKey VJGFOYBQOIPQFY-XMMPIXPASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.