CAS 264609-13-4

N-[2'-(4,5-Dimethylisoxazol-3-ylsulfamoyl)-4-(2-oxazolyl)biphenyl-2-ylmethyl]-N,3,3-trimethylbutyramide hydrate

Description:

N-[2'-(4,5-Dimethylisoxazol-3-ylsulfamoyl)-4-(2-oxazolyl)biphenyl-2-ylmethyl]-N,3,3-trimethylbutyramide hydrate is a complex organic compound characterized by its unique structural features, which include a biphenyl core, isoxazole, and oxazole moieties. This compound is likely to exhibit specific biological activity due to the presence of the sulfonamide group, which is known for its role in medicinal chemistry, particularly as antibacterial agents. The presence of multiple functional groups suggests potential for hydrogen bonding and interactions with biological targets. Its hydrate form indicates that it contains water molecules in its crystalline structure, which can influence its solubility and stability. The compound's molecular weight, solubility in various solvents, and thermal stability would be important for its application in research or pharmaceutical development. Additionally, the presence of dimethyl and trimethyl groups may affect its lipophilicity and permeability, making it a candidate for further investigation in drug design and development.

Formula: C₂₈H₃₄N₄O₆S

InChI: InChI=1/C28H32N4O5S.H2O/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5;/h7-15H,16-17H2,1-6H3,(H,30,31);1H2

SMILES: Cc1c(C)onc1NS(=O)(=O)c1ccccc1c1ccc(cc1CN(C)C(=O)CC(C)(C)C)c1ncco1.O

Synonyms:

• Edonentan hydrate
• Bms-207940-02
• BMS-207940(anhydrous)
• N-({2'-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-(1,3-oxazol-2-yl)biphenyl-2-yl}methyl)-N,3,3-trimethylbutanamide hydrate (1:1)

Edonentan Hydrate

Controlled Product

CAS: 264609-13-4

Applications Edonentan (BMS-207940), a selective antagonist of the endothelin A (ETA) receptor, has been proposed for the treatment of congestive heart failure.
References Aso, Y., et al.: Chem. Pharm. Bull., 38, 180 (1990); Shimada, J., et al.: J. Pharm. Sci., 82, 461 (1993); Scharwachter, K., et al.: Chirality, 13, 679 (2001);

Formula: C₂₈H₃₂N₄O₅S·H₂O

Color and Shape: Neat

Molecular weight: 554.658

Ref: TR-E335400

Edonentan hydrate

CAS: 264609-13-4

Edonentan (BMS 207940) hydrate effectively blocks the endothelin A (ETA) receptor as a potent and selective antagonist, featuring a K i of 10 pM. It exhibits complete (100%) oral bioavailability in rats [1].

Formula: C₂₈H₃₄N₄O₆S

Color and Shape: Solid

Molecular weight: 554.66

Ref: TM-T86338