CAS 1204416-97-6

2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide

Description:

The chemical substance with the name "2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide" and CAS number "1204416-97-6" is a complex organic compound characterized by its intricate molecular structure, which includes multiple rings and functional groups. This substance features a benzoxathiine core, indicating the presence of sulfur and oxygen in its structure, along with a tetraazacyclodocosine framework that suggests significant nitrogen content. The presence of methoxy and cyclohexyl groups contributes to its hydrophobic characteristics, while the dimetheno and dione functionalities may impart reactivity and potential biological activity. Such compounds are often studied for their potential applications in pharmaceuticals, materials science, or as ligands in coordination chemistry. The specific properties, such as solubility, stability, and reactivity, would depend on the overall molecular architecture and the interactions of its functional groups.

Formula: C₃₂H₃₈N₄O₆S

InChI: InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)

InChI key: InChIKey=UOBYJVFBFSLCTQ-UHFFFAOYSA-N

SMILES: O=C1C=2CN3C(=C(C=4C3=CC(=CC4)C(=O)NS(=O)(=O)N(C)CCOCCN1C)C5CCCCC5)C=6C(C2)=CC(OC)=CC6

Synonyms:

• 2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide
• TMC 647055

TMC647055

CAS: 1204416-97-6

TMC647055 is an inhibitor of the hepatitis C virus (HCV) NS5B polymerase. It inhibits HCV replication by binding to the active site of the NS5B polymerase, preventing RNA-dependent DNA polymerization and inhibiting viral replication. TMC647055 has been shown to be effective against HCV genotype 1, 2 and 3. This compound has also been shown to be a potent inhibitor of HIV-1 reverse transcriptase and may be used as a potential therapy for HIV infection. TMC647055 has been shown to have anti-cancer activity in cell culture studies against human cancer cells, including leukemia, lymphoma and breast cancer cells.

Formula: C₃₂H₃₈N₄O₆S

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 606.7 g/mol

Ref: 3D-EYB41697