licogliflozin - Moligand™ , Sodium/glucose cotransporter 2 inhibitor, CAS No.1291094-73-9, Sodium/glucose cotransporter 2 inhibitor

CAS: 1291094-73-9 Cat. No.: L611530 Fórmula: C₂₃H₂₈O₇ Peso molecular: 416.46 PubChem CID: 52913524

GRAU & PUREZA Moligand™

Synonyms

UNII-57J06X6EI0 | LIK066 | LIK-066 | EX-A4918 | (2S,3R,4R,5S,6R)-2-(3-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-4-ethylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | XFJAMQQAAMJFGB-ZQGJOIPISA-N | 1291094-73-9 | (2S,3R,4R,5S,6R)-2-[3-(2,3-d

Storage

Room temperature

Especificações

Sinónimos

UNII-57J06X6EI0 | LIK066 | LIK-066 | EX-A4918 | (2S,3R,4R,5S,6R)-2-(3-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-4-ethylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | XFJAMQQAAMJFGB-ZQGJOIPISA-N | 1291094-73-9 | (2S,3R,4R,5S,6R)-2-[3-(2,3-d

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Sodium/glucose cotransporter 2 inhibitor

Propriedades do produto

ALogP

1.9

Nomes e identificadores

Sorrisos canónicos

CCC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4

IUPAC Name

(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

XFJAMQQAAMJFGB-ZQGJOIPISA-N

INCHI

1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1

SMILES isoméricas

CCC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4

PubChem CID

52913524

Peso molecular

416.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses C-glycosyl compounds Benzo-1,4-dioxanes Alkyl aryl ethers Para dioxins Oxanes Benzene and substituted derivatives Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Para-dioxin - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Polyol - Hydrocarbon derivative - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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

Alvos associados (humanos)

SLC5A2 Tclin Sodium/glucose cotransporter 2 (1 Activities)

Discover Target: SLC5A2

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

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)

Alvos associados (não humanos)

Slc5a1 Sodium/glucose cotransporter 1 (11 Activities)

Discover Target: Slc5a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 416.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 416.184 Da
• Monoisotopic Mass: 416.184 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 546.000
• 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

Perguntas frequentes

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 1291094-73-9, the molecular formula is C23H28O7, and the molecular weight is 416.46 g/mol. InChIKey XFJAMQQAAMJFGB-ZQGJOIPISA-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.