CAS 94944-70-4

1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone

Description:

1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone, with the CAS number 94944-70-4, is a chemical compound characterized by its complex structure that includes an imidazole ring and a tetrahydroxybutyl group. This compound features multiple hydroxyl (-OH) functional groups, which contribute to its hydrophilicity and potential for forming hydrogen bonds, influencing its solubility and reactivity. The presence of the imidazole moiety suggests potential biological activity, as imidazole derivatives are often found in pharmaceuticals and biochemicals. The stereochemistry indicated by the (1R,2S,3R) configuration suggests specific spatial arrangements that may affect the compound's interaction with biological targets. Additionally, the ethanone functional group indicates the presence of a ketone, which can participate in various chemical reactions, including nucleophilic additions. Overall, this compound's unique structural features may confer specific properties and applications in medicinal chemistry and biochemistry, warranting further investigation into its potential uses.

Formula: C₉H₁₄N₂O₅

InChI: InChI=1/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 key: InChIKey=CQSIXFHVGKMLGQ-BWZBUEFSSA-N

SMILES: [C@@H]([C@@H]([C@@H](CO)O)O)(O)C=1NC(C(C)=O)=NC1

Synonyms:

• Ethanone, 1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]-, [1R-(1R*,2S*,3R*)]-
• THI
• Ethanone, 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]-
• 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
• 2-Acetyl-5-tetrahydroxybutyl Imidazole
• Ethanone, 1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-iMidazol-2-yl]-, [1R-(1R*,2S*,3R*)]- (9CI)
• 2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)iMidazole, 97%
• (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole
• 2-acetyl-4(5)-tetrahydroxybutylimidazole
• 2-Athbi
• 2-Acetyl-5-tetrahydroxybutyl iMidazole (THI)
• 2-ACETYL-4(5)-(1,2,3,4-TETRAHYDROXYBUTYL)-IMIDAZOLE (THI)
• 1-[4-(1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL]ETHANONE

2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)imidazole, 97%

CAS: 94944-70-4

2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)imidazole used for treatment of autoimmune disorders. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product

Formula: C₉H₁₄N₂O₅

Purity: 97%

Color and Shape: White to pale brown, Powder or crystalline powder

Molecular weight: 230.22

Ref: 02-H63416

1-(5-(1,1,2,2-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone

CAS: 94944-70-4

Formula: C₉H₁₄N₂O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 230.2179

Ref: IN-DA005U25

2-Acetyl-4-tetrahydroxybutyl imidazole

CAS: 94944-70-4

2-Acetyl-4-tetrahydroxybutyl imidazole

Color and Shape: Solid

Molecular weight: 230.22g/mol

Ref: 54-BICL2051

THI

CAS: 94944-70-4

Formula: C₉H₁₄N₂O₅

Purity: ≥ 95.0%

Color and Shape: White to light-brown powder

Molecular weight: 230.22

Ref: 7W-GL9930

2-ATHBI

CAS: 94944-70-4

2-ATHBI is a S1P lyase inhibitor.

Formula: C₉H₁₄N₂O₅

Purity: 95.00%

Color and Shape: Solid

Molecular weight: 230.22

Ref: TM-T19778

(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole

Controlled Product

CAS: 94944-70-4

Applications (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole (THI) inhibits sphinogosine-1-phosphate (S1P) lyase for treatment of autoimmune disorders.
References Zhang, H., et al.: Tetrahedron, 69, 4041 (2013); Bagdanoff, J.T., et al.: J. Med. Chem., 53, 8650 (2010); Bagdanoff, J.T., et al.: J. Med. Chem., 52, 3941 (2009)

Formula: C₉H₁₄N₂O₅

Color and Shape: White To Light Brown

Molecular weight: 230.22

Ref: TR-A188490

2-Acetyl-4-tetrahydroxybutyl imidazole

CAS: 94944-70-4

Inhibitor of sphingosine-1-phosphate lyase; immunosuppressant

Formula: C₉H₁₄N₂O₅

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 230.22 g/mol

Ref: 3D-MA61366