CAS 253688-62-9

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

Description:

The chemical substance known as "4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide," with the CAS number 253688-62-9, is a complex organic compound characterized by its sulfonamide functional group, which is known for its applications in medicinal chemistry, particularly as antibacterial agents. This compound features multiple hydroxyl groups, indicating potential for hydrogen bonding, which may enhance its solubility and reactivity. The presence of a bipyrimidine moiety suggests potential biological activity, as such structures are often involved in interactions with biological targets, including enzymes and receptors. The compound's structure also includes aromatic rings, which can contribute to its stability and electronic properties. Overall, this substance may exhibit interesting pharmacological properties, making it a candidate for further investigation in drug development and therapeutic applications. However, specific biological activities and safety profiles would require empirical studies to elucidate its potential uses.

Formula: C₂₆H₂₇N₅O₇S

InChI: InChI=1S/C26H27N5O7S/c1-26(2,16-33)17-8-10-18(11-9-17)39(35,36)31-22-21(38-20-7-4-3-6-19(20)34)25(37-15-14-32)30-24(29-22)23-27-12-5-13-28-23/h3-13,32-34H,14-16H2,1-2H3,(H,29,30,31)

InChI key: InChIKey=JXXCMZWROOURSZ-UHFFFAOYSA-N

SMILES: O(C=1C(NS(=O)(=O)C2=CC=C(C(CO)(C)C)C=C2)=NC(=NC1OCCO)C=3N=CC=CN3)C4=C(O)C=CC=C4

Synonyms:

• Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2′-bipyrimidin]-4-yl]-
• Ro 64-1056
• 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide

Hydroxy O-Desmethyl Bosentan Sodium Salt

CAS: 253688-62-9

Formula: C₂₆H₂₆N₅O₇S·Na

Color and Shape: Pale Yellow Solid

Molecular weight: 552.58 22.99

Ref: 4Z-B-1236

Hydroxy O-Desmethyl Bosentan

CAS: 253688-62-9

Formula: C₂₆H₂₇N₅O₇S

Color and Shape: Off-White To Yellow Solid

Molecular weight: 553.59

Ref: 4Z-B-127

Hydroxy desmethyl Bosentan

CAS: 253688-62-9

Hydroxy desmethyl Bosentan (Ro 64-105) is a Bosentan metabolism produced by the cytochrome P450 enzymes CYP2C9 and CYP3A4 in the liver.

Formula: C₂₆H₂₇N₅O₇S

Purity: 98%

Color and Shape: Solid

Molecular weight: 553.59

Ref: TM-T11584

Hydroxy Desmethyl Bosentan-d4

Controlled Product

CAS: 253688-62-9

Formula: C₂₆D₄H₂₃N₅O₇S

Color and Shape: Neat

Molecular weight: 557.611

Ref: TR-H938002

Bosentan Hydroxymethyl O-Desmethyl Impurity

CAS: 253688-62-9

Formula: C₂₆H₂₇N₅O₇S

Molecular weight: 553.59

Ref: ST-EA-CP-B59007