SML3188

Isavuconazonium sulfate

≥95% (HPLC)

• Synonyma: (2-{[(1-{1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazol-4-ium-4-yl}ethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl N-methylglycinate hydrogen sulfate, BAL 8557-002, BAL8557
• Empirický vzorec (Hillův zápis): C₃₅H₃₅F₂N₈O₅S · SO₄H
• Číslo CAS: 946075-13-4
• Molekulová hmotnost: 814.84
• MDL number: MFCD27987905
• UNSPSC Code: 51111800
• NACRES: NA.77

Vlastnosti

• Quality Level: 100
• assay: ≥95% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: O=S(O)([O-])=O.N#CC(C=C1)=CC=C1C2=CSC([C@H](C)[C@](O)(CN3C=[N+](C(C)OC(N(C)C4=NC=CC=C4COC(CNC)=O)=O)C=N3)C5=CC(F)=CC=C5F)=N2
• 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: LWXUIUUOMSMZKJ-KLFWAVJMSA-M

Popis

Biochem/physiol Actions

Isavuconazonium sulfate (BAL8557) is a prodrug of isavuconazole (BAL 4815), a triazole antifungal drug. Isavuconazole inhibits fungal sterol biosynthesis by inhibition of cytochrome P450 sterol 14-α-demethylase (CYP51), an enzyme in the sterol biosynthesis pathway that leads from lanosterol to ergosterol. Isavuconazonium sulfate has been approved for the treatment of both invasive aspergillosis and invasive mucormycosis.

Bezpečnostní informace

• pictograms: GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H302,H361d,H372,H410
• pcodes: P202 - P260 - P264 - P273 - P301 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2 - STOT RE 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable