mizagliflozin - Moligand™ , Inhibitor of Sodium/glucose cotransporter 1, CAS No.M611900, Inhibitor of Sodium/glucose cotransporter 1

CAS: M611900 Cat. No.: M611900 PubChem CID: 10460535

GRADE & PURITY Moligand™

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

Room temperature

Specifications

Sinonimi

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] |

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of Sodium/glucose cotransporter 1

Nomi e identificatori

• Sorrisi canonici: OC[C@H]1O[C@@H](Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O
• IUPAC Name: 2,2-dimethyl-3-[3-[3-methyl-4-[[3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-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
• Isomeri 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
• PubChem CID: 10460535

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Peso molecolare: 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

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 M611900. InChIKey LREHMKLEOJAVMQ-TXKDOCKMSA-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.