Dapagliflozin propanediol hydrate - ≥99% , Sodium/glucose cotransporter 2 inhibitor, CAS No.960404-48-2, Sodium/glucose cotransporter 2 inhibitor

CAS: 960404-48-2 Cat. No.: D305035 Formula: C₂₄H₃₅ClO₉ Peso molecolare: 502.98 Numero EC: 811-335-4 PubChem CID: 24906252

GRADE & PURITY ≥99%

Synonyms

AKOS027250601 | BMS-512148 (2S)-1,2-propanediol, hydrate | DAPAGLIFLOZIN PROPANEDIOL COMPONENT OF XIGDUO | (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-(4-ETHOXYBENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL COMPOUND WITH (S)-PROPANE-1,2-DIOL (1:1) HYD

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Panoramica

Dapagliflozin propanediol belongs to the class of orally administered antidiabetic agents designated as sodiumglucose cotransporter 2 (SGLT2) inhibitors.

Specifications

Sinonimi

AKOS027250601 | BMS-512148 (2S)-1,2-propanediol, hydrate | DAPAGLIFLOZIN PROPANEDIOL COMPONENT OF XIGDUO | (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-(4-ETHOXYBENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL COMPOUND WITH (S)-PROPANE-1,2-DIOL (1:1) HYD

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Sodium/glucose cotransporter 2 inhibitor

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504769910

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769910

Sorrisi canonici

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl.CC(CO)O.O

IUPAC Name

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-propane-1,2-diol;hydrate

InChIKey

GOADIQFWSVMMRJ-UPGAGZFNSA-N

INCHI

1S/C21H25ClO6.C3H8O2.H2O/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;1-3(5)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;3-;/m10./s1

Isomeri SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl.C[C@@H](CO)O.O

CAS alternativo

1700615-13-9,960404-48-2

PubChem CID

24906252

Peso molecolare

502.98

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: Diphenylmethanes Hexoses C-glycosyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Oxanes Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Organochlorides Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenolic glycoside - Diphenylmethane - Hexose monosaccharide - C-glycosyl compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Primary alcohol - Aromatic heteromonocyclic compound
• Descrizione: 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: hydrate

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

Proprietà chimiche e fisiche

• Solubilità: insoluble in H2O; ≥27.4 mg/mL in EtOH; ≥69.7 mg/mL in DMSO
• Peso molecolare: 503.000 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 502.197 Da
• Monoisotopic Mass: 502.197 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 493.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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: 3

XLogP3