CAS 1201913-82-7

Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-

Description:

Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)- is a complex organic compound characterized by its unique spirocyclic structure, which incorporates both isobenzofuran and pyran moieties. This compound features multiple hydroxyl groups, indicating it is a polyol, which contributes to its potential solubility in polar solvents and may influence its reactivity and biological activity. The presence of a 4-ethylphenyl group suggests hydrophobic characteristics, which could affect its interaction with biological membranes. The specific stereochemistry denoted by the (1S,3′R,4′S,5′S,6′R) configuration indicates that the compound has defined chiral centers, which may play a crucial role in its pharmacological properties and interactions with biological targets. As a hydrate, it also contains water molecules in its structure, which can impact its stability and solubility. Overall, this compound's intricate structure and functional groups suggest potential applications in medicinal chemistry and materials science.

Formula: C₂₂H₂₆O₆·H₂O

InChI: InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1

InChI key: InChIKey=ZXOCGDDVNPDRIW-NHFZGCSJSA-N

SMILES: O[C@H]1[C@]2(C=3C(CO2)=CC=C(CC4=CC=C(CC)C=C4)C3)O[C@H](CO)[C@@H](O)[C@@H]1O.O

Synonyms:

• Tofogliflozin hydrate
• Deberza
• Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-

Tofogliflozin

CAS: 1201913-82-7

Formula: C₂₂H₂₈O₇

Purity: 99%

Molecular weight: 404.4535

Ref: IN-DA008TN9

Tofogliflozin (hydrate)

CAS: 1201913-82-7

Tofogliflozin (hydrate)

Formula: C₂₂H₂₈O₇

Purity: ≥95%

Molecular weight: 404.45

Ref: 54-BUP15229

Tofogliflozin (hydrate)

CAS: 1201913-82-7

Tofogliflozin hydrate (CSG-452 hydrate) is a potent and highly specific inhibitor of SGLT2(Ki of 2.9 nM, 14.9 nM, and 6.4 nM for human, rat, and mouse SGLT2).

Formula: C₂₂H₂₈O₇

Purity: 97.03% - 98.78%

Color and Shape: White Solid

Molecular weight: 404.45

Ref: TM-T5016

Tofogliflozin (hydrate)

CAS: 1201913-82-7

(1S,3'R,4'S,5'S,6'R)-6-(4-Ethylbenzyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol hydrate

Formula: C₂₂H₂₈O₇

Purity: 99%

Molecular weight: 404.45

Ref: IN-DG629984

Tofogliflozin (hydrate)

CAS: 1201913-82-7

Tofogliflozin is a novel oral anti-diabetic drug that belongs to the class of glp-1r agonists. It is used in combination therapy with metformin or sulfonylureas for type 2 diabetes mellitus. Tofogliflozin inhibits the renal glucose transport and, as a consequence, slows renal glucose reabsorption and lowers blood sugar levels. In addition, it has been shown to reduce blood pressure by blocking the angiotensin II receptor AT1 in the vascular walls of the kidneys. Tofogliflozin has also been shown to improve disease activity, hepatic steatosis, and hepatic impairment in patients with inflammatory bowel disease and nonalcoholic steatohepatitis (NASH). Tofogliflozin is an inhibitor of dapagliflozin, which blocks the action of sodium-glucose cotransporter 2 (SGLT2).

Formula: C₂₂H₂₈O₇

Purity: Min. 95%

Molecular weight: 404.45 g/mol

Ref: 3D-BYB91382