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Merck
CN

SML3188

Sigma-Aldrich

Isavuconazonium sulfate

≥95% (HPLC)

别名:

(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

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About This Item

经验公式(希尔记法):
C35H35F2N8O5S · SO4H
分子量:
814.84
MDL编号:
UNSPSC代码:
51111800
NACRES:
NA.77

质量水平

方案

≥95% (HPLC)

表单

powder

颜色

white to beige

溶解性

DMSO: 2 mg/mL, clear

储存温度

−20°C

SMILES字符串

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

生化/生理作用

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.

警示用语:

Danger

危险分类

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2 - STOT RE 1

储存分类代码

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable


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