2-Acetyl-4-tetrahydroxybutyl imidazole

Catalog NumberBL-M000952
CAS Number94944-70-4
Description2-Acetyl-4-tetrahydroxybutyl imidazole is an inhibitor of sphingosine-1-phosphate lyase and acts as an immunosuppressant.
IUPAC Name1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
Synonyms2-Athbi; THI; (1R,2S,3R)-2-acetyltetrahydroxybutylimidazole; 2-acetyl-4(5)-tetrahydroxybutyl imidazole
Molecular Weight230.22
Molecular FormulaC9H14N2O5
Boiling Point613.5°C at 760 mmHg
Melting Point211.02°C
Purity>99%
Density1.5 g/cm3
SolubilitySoluble in DI water, DMSO (>5 mg/ml), and PBS pH 7.2 (~0.15 mg/ml).
AppearanceWhite to Light Brown Solid
ApplicationImmunosuppressive Agents
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 46.95%, H 6.13%, N 12.17%, O 34.75%
Canonical SMILESCC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O
InChIInChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChI KeyCQSIXFHVGKMLGQ-BWZBUEFSSA-N

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