CAS 1065472-91-4

4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide

Description:

The chemical substance known as "4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide" with CAS number 1065472-91-4 is a complex organic compound characterized by its sulfonamide functional group, which is known for its antibacterial properties. The presence of multiple hydroxy groups indicates potential for hydrogen bonding, enhancing solubility in polar solvents. The compound features a bipyrimidine core, which may contribute to its biological activity, possibly as a kinase inhibitor or in other therapeutic applications. The presence of methoxy and hydroxy substituents suggests that the compound may exhibit varied interactions with biological targets, potentially influencing its pharmacokinetics and efficacy. Additionally, the deuterated ethoxy group may be utilized in studies involving metabolic pathways or in tracing mechanisms of action. Overall, this compound's structural complexity and functional groups suggest a potential for diverse applications in medicinal chemistry and drug development.

Formula: C₂₇H₂₅D₄N₅O₇S

InChI: InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)/i15D2,16D2

InChI key: InChIKey=FAJQMBCLPZWTQJ-ONNKGWAKSA-N

SMILES: O(C=1C(NS(=O)(=O)C2=CC=C(C(CO)(C)C)C=C2)=NC(=NC1OC(C(O)([2H])[2H])([2H])[2H])C=3N=CC=CN3)C4=C(OC)C=CC=C4

Synonyms:

• Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]-
• 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide

Hydroxy Bosentan-d4

Controlled Product

CAS: 1065472-91-4

Applications A labelled analogue of the active metabolite of Bosentan, a mixed endothelin receptor antagonist which is used as a vasodilator.
References Clozel, M., et al.: J. Pharmacol. Exp. Ther., 270, 228 (1994), Gutsch, G., et al.: Cardiovasc. Drugs Ther., 10, 717 (1996), Weber, C., et al.: Clin Pharmacol. Ther., 60, 124 (1996), Krum, H., et al.: N. Engl. J. Med., 338, 784 (1998)

Formula: C₂₇₂H₄H₂₅N₅O₇S

Color and Shape: Neat

Molecular weight: 571.64

Ref: TR-H830272