Mizagliflozin (KWA 0711) - Moligand™, ≥98% , Inhibitor of Sodium/glucose cotransporter 1, CAS No.666843-10-3, Inhibitor of Sodium/glucose cotransporter 1

CAS: 666843-10-3 Cat. No.: M414281 Peso molecular: 564.67 PubChem CID: 10460535

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-17638 | EX-A4127 | GSK-1614235 free baseDSP-3235 free base | KGA-3235 free base | Propanamide, 3-((3-(4-((3-(beta-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethyl- | Mizagliflozin [INN:WHO-DD] |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Mizagliflozin (KWA 0711) Mizagliflozin (KWA 0711) is a novel, potent, selective sodium glucose co-transporter 1 (SGLT1) inhibitor with Ki of 27 nM for human SGLT1. The selectivity ratio (Ki value for human SGLT2/Ki value for human SGLT1) of mizagliflozin is 303. Mizagliflozin shows the potential use for the amelioration of chronic constipation.

Targets

human SGLT1 (Cell-free assay) 27 nM(Ki)

In vitro

Mizagliflozin\'s inhibitory activity against SGLTs is evaluated by an in vitro assay of cells transiently expressing SGLTs. Mizagliflozin potently inhibits human SGLT1 in a highly selective manner..

In vivo

The oral administration of Mizagliflozin increased fecal wet weight in a dog model of loperamide-induced constipation and a rat model of low-fiber-diet-induced constipation..

Cell Research(from reference)

Cell lines：COS-7 cells 

Concentrations：0-1 μM, 0-30 μM 

Incubation Time：1 h 

Specifications

Sinónimos

HY-17638 | EX-A4127 | GSK-1614235 free baseDSP-3235 free base | KGA-3235 free base | Propanamide, 3-((3-(4-((3-(beta-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2, 2-dimethyl- | Mizagliflozin [INN:WHO-DD] |

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Mizagliflozin (KWA 0711) is a novel, potent, selective sodium glucose co-transporter 1 (SGLT1) inhibitor with Ki of 27 nM for human SGLT1. The selectivity ratio (Ki value for human SGLT2/Ki value for human SGLT1) of mizagliflozin is 303. Mizagliflozin sho

Condiciones de almacenamiento de almacenamiento

Protected from light, 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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Sodium/glucose cotransporter 1

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC(=C1)OCCCNCC(C)(C)C(=O)N)CC2=C(NN=C2OC3C(C(C(C(O3)CO)O)O)O)C(C)C
• IUPAC Name: 2,2-dimethyl-3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide
• InChIKey: LREHMKLEOJAVMQ-TXKDOCKMSA-N
• INCHI: 1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1
• Isómeros SMILES: CC1=C(C=CC(=C1)OCCCNCC(C)(C)C(=O)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
• CAS alternativo: 666843-10-3
• PubChem CID: 10460535
• Términos de entrada MeSH: 3-(3-(4-(3-(glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-ylmethyl)-3-methylphenoxy)propylamino)-2,2-dimethylpropionamide;mizagliflozin
• Peso molecular: 564.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Beta amino acids and derivatives Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Oxanes Pyrazoles Heteroaromatic compounds Secondary alcohols Primary carboxylic acid amides Acetals Azacyclic compounds Polyols Dialkylamines Oxacyclic compounds Primary alcohols Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Beta amino acid or derivatives - O-glycosyl compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Primary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Secondary amine - Polyol - Organoheterocyclic compound - Oxacycle - Azacycle - Acetal - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Primary alcohol - Carbonyl group - Organopnictogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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

Objetivos asociados (humanos)

SLC5A1 Tclin Sodium/glucose cotransporter 1 (1 Activities)

Discover Target: SLC5A1

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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (177.09 mM); Water: 100 mg/mL (177.09 mM); Ethanol: 100 mg/mL (177.09 mM)
• Sensibilidad: Light sensitive
• Peso molecular: 564.700 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 564.316 Da
• Monoisotopic Mass: 564.316 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 789.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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