CAS 946075-13-4

4H-1,2,4-Triazolium, 1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-, sulfate (1:1)

Description:

4H-1,2,4-Triazolium, with the specified structure and CAS number 946075-13-4, is a complex organic compound characterized by its triazolium core, which is a five-membered ring containing three nitrogen atoms. This compound features multiple functional groups, including a thiazole moiety and a hydroxybutyl side chain, contributing to its potential biological activity. The presence of a cyanophenyl group and a difluorophenyl group suggests that it may exhibit unique electronic properties and hydrophobic characteristics. The sulfate moiety indicates that the compound is likely to be soluble in water, enhancing its bioavailability. Its intricate structure implies potential applications in pharmaceuticals, particularly in areas requiring targeted drug delivery or specific receptor interactions. The compound's stability, reactivity, and interaction with biological systems would depend on its specific stereochemistry and the arrangement of substituents, which could influence its pharmacokinetic and pharmacodynamic profiles. Overall, this compound represents a class of triazolium derivatives that may hold promise in medicinal chemistry.

Formula: C₃₅H₃₅F₂N₈O₅S·HO₄S

InChI: InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1

InChI key: InChIKey=LWXUIUUOMSMZKJ-KLFWAVJMSA-M

SMILES: [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CNC)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.S(=O)(=O)([O-])O

Synonyms:

• 4H-1,2,4-Triazolium, 1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-, sulfate (1:1)
• BAL 8557-002
• Isavuconazonium sulfate
• Glycine, N-methyl-, [2-[[[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]methylamino]-3-pyridinyl]methyl ester, sulfate (1:1)
• N-Methylglycine [2-[[[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]methylamino]-3-pyridinyl]methyl ester sulfate
• Cresemba

Isavuconazonium sulfate

CAS: 946075-13-4

Formula: C₃₅H₃₆F₂N₈O₉S₂

Purity: 96%

Color and Shape: Solid

Molecular weight: 814.8353

Ref: IN-DA01EMZM

Isavuconazonium sulfate

CAS: 946075-13-4

Isavuconazonium sulfate

Purity: ≥95%

Molecular weight: 814.84g/mol

Ref: 54-BUP13462

Isavuconazonium Sulfate

CAS: 742049-41-8, 946075-13-4

Formula: C₃₅H₃₅F₂N₈O₅S·HSO₄·5H₂SO₄

Molecular weight: 717.77 97.06 0.5*98.07

Ref: 4Z-I-162001

Isavuconazonium sulfate

CAS: 946075-13-4

Isavuconazonium sulfate is a prodrug converted to antifungal isavuconazole, inhibiting fungal enzyme CYP51 to disrupt cell membrane synthesis.

Formula: C₃₅H₃₆F₂N₈O₉S₂

Purity: 97.46%

Color and Shape: Solid

Molecular weight: 814.84

Ref: TM-T3934

ISAVUCONAZONIUM SULFATE

CAS: 946075-13-4

Purity: 96%

Molecular weight: 814.8400269

Ref: 10-F808721

Isavuconazonium Sulfate

Controlled Product

CAS: 946075-13-4

Formula: C₃₅H₃₅F₂N₈O₅S·HO₄S

Color and Shape: Off-White

Molecular weight: 814.835

Ref: TR-I946574