CAS 1198769-38-8

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-, hydrate (1:1)

Description:

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-, hydrate (1:1) is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as triazoles, piperazines, and phenyl rings. This compound is notable for its potential biological activity, particularly in pharmaceutical applications, where it may exhibit properties relevant to medicinal chemistry. The presence of difluorophenyl groups suggests enhanced lipophilicity, which can influence its pharmacokinetics and bioavailability. Additionally, the hydrate form indicates that it contains water molecules in its crystalline structure, which can affect its stability and solubility. Overall, this compound represents a sophisticated design aimed at optimizing therapeutic efficacy while minimizing side effects, making it a subject of interest in drug development and research.

Formula: C₃₇H₄₂F₂N₈O₄·H₂O

InChI: InChI=1S/C37H42F2N8O4.H2O/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39;/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3;1H2/t26-,27+,35-,37-;/m0./s1

InChI key: InChIKey=TUNUVJALSUOKOC-VPJFHDDISA-N

SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@H]([C@H](C)O)CC)N=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7.O

Synonyms:

• D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-, hydrate (1:1)

Posaconazole hydrate

CAS: 1198769-38-8

Posaconazole hydrate is an antifungal agent, which is a triazole derivative synthesized for the pharmaceutical industry. It functions by inhibiting the enzyme lanosterol 14α-demethylase, crucial in ergosterol biosynthesis, an essential component of fungal cell membranes. This disruption in ergosterol production leads to increased membrane permeability and ultimately the death of the fungal cells.

Formula: C₃₇H₄₄F₂N₈O₅

Purity: Min. 95%

Molecular weight: 718.8 g/mol

Ref: 3D-YXB76938

Posaconazole hydrate

CAS: 1198769-38-8

Posaconazole: broad-spectrum antifungal, second-gen triazole, strong C14α demethylase inhibitor (IC50: 0.25 nM).

Formula: C₃₇H₄₄F₂N₈O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 718.79

Ref: TM-T23174