CAS 170985-86-1

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-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)-D-threo-pentitol

Description:

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-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)-D-threo-pentitol, with CAS number 170985-86-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as triazoles, phenyl rings, and piperazine moieties. This compound is notable for its potential pharmacological applications, particularly in the field of medicinal chemistry, where it may exhibit biological activity against specific targets. The presence of difluorophenyl and various substituents suggests that it may possess unique electronic properties and reactivity. Additionally, the stereochemistry indicated by the (1S,2S) configuration implies that the compound may have specific interactions with biological systems, influencing its efficacy and safety profile. Overall, this compound represents a significant example of synthetic organic chemistry with potential therapeutic relevance.

Formula: C₄₄H₄₈F₂N₈O₄

InChI: InChI=1S/C44H48F2N8O4/c1-3-42(32(2)56-25-33-7-5-4-6-8-33)54-43(55)53(31-49-54)38-12-10-36(11-13-38)50-19-21-51(22-20-50)37-14-16-39(17-15-37)57-26-34-24-44(58-27-34,28-52-30-47-29-48-52)40-18-9-35(45)23-41(40)46/h4-18,23,29-32,34,42H,3,19-22,24-28H2,1-2H3/t32-,34+,42-,44-/m0/s1

InChI key: InChIKey=XZBSQKGAKKWACB-QCKBNUSDSA-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](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8

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-(phenylmethoxy)propyl]-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)-
• 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-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)-D-threo-pentitol

O-Benzyl Posaconazole

CAS: 170985-86-1

O-Benzyl Posaconazole

Purity: 98%

Molecular weight: 790.9g/mol

Ref: 54-PC1001017

Benzylposaconazole

CAS: 170985-86-1

Formula: C₄₄H₄₈F₂N₈O₄

Color and Shape: White To Off-White Solid

Molecular weight: 790.92

Ref: 4Z-P-3876

O-Benzyl Posaconazole

CAS: 170985-86-1

Formula: C₄₄H₄₈F₂N₈O₄

Molecular weight: 790.92

Ref: ST-EA-CP-P24004

O-Benzyl Posaconazole

Controlled Product

CAS: 170985-86-1

Applications Precursor to the fungicide, Posaconazole.
References Heeres, J., et al.: J. Med. Chem. 27, 894 (1984), Wood, P., et al.: Drug Discov. Develop., 1, 34 (1998),

Formula: C₄₄H₄₈F₂N₈O₄

Color and Shape: Neat

Molecular weight: 790.9

Ref: TR-B288660