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Home Imidazoles 94944-70-4
94944-70-4,MFCD18427707
Catalog No.:AA005TZD

94944-70-4 | 1-(5-(1,1,2,2-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$170.00   $119.00
- +
5mg
≥95%
in stock  
$710.00   $497.00
- +
10mg
≥95%
in stock  
$1,239.00   $867.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005TZD
Chemical Name:
1-(5-(1,1,2,2-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone
CAS Number:
94944-70-4
Molecular Formula:
C9H14N2O5
Molecular Weight:
230.2179
MDL Number:
MFCD18427707
SMILES:
CCC(C(c1cnc([nH]1)C(=O)C)(O)O)(O)O
Properties
Properties
 
Form:
Solid  
MP:
>200ºC (dec.)  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
5  
XLogP3:
-2.7  

Downstream Synthesis Route
94944-70-4    4114-31-2   
(E)-ethyl2-(1-(4-((1R,2S,3R)-1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl)ethylidene)hydrazinecarboxylate 

[1]CurrentPatentAssignee:LEXICONPHARMACEUTICALSINC-US2007/208063,2007,A1Locationinpatent:Page/Pagecolumn13

Literature

Title: Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis.

Journal: Journal of medicinal chemistry 20140626

Title: Simultaneous quantitation of 2-acetyl-4-tetrahydroxybutylimidazole, 2- and 4-methylimidazoles, and 5-hydroxymethylfurfural in beverages by ultrahigh-performance liquid chromatography-tandem mass spectrometry.

Journal: Journal of agricultural and food chemistry 20120201

Title: Sphingosine-1-phosphate enhances satellite cell activation in dystrophic muscles through a S1PR2/STAT3 signaling pathway.

Journal: PloS one 20120101

Title: Inhibition of sphingosine 1-phosphate lyase for the treatment of rheumatoid arthritis: discovery of (E)-1-(4-((1R,2S,3R)-1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime (LX2931) and (1R,2S,3R)-1-(2-(isoxazol-3-yl)-1H-imidazol-4-yl)butane-1,2,3,4-tetraol (LX2932).

Journal: Journal of medicinal chemistry 20101223

Title: Pharmacokinetic/pharmacodynamic modelling of 2-acetyl-4(5)-tetrahydroxybutyl imidazole-induced peripheral lymphocyte sequestration through increasing lymphoid sphingosine 1-phosphate.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20100501

Title: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders.

Journal: Journal of medicinal chemistry 20090709

Title: Heart-cutting two-dimensional liquid chromatography methods for quantification of 2-acetyl-4-(1,2,3,4-tetrahydroxybutyl)imidazole in Class III caramel colours.

Journal: Journal of chromatography. A 20080711

Title: Supercritical fluid extraction (SFE) of 4(5)-methylimidazole (4-MeI) and 2-acetyl-4(5)-(1,2,3,4)-tetrahydroxybutyl-imidazole (THI) from ground-coffee with high-performance liquid chromatographic-electrospray mass spectrometric quantification (HPLC/ESI-MS).

Journal: Food additives and contaminants 20061001

Title: Immunology. Dietary factors and immunological consequences.

Journal: Science (New York, N.Y.) 20050909

Title: Lymphocyte sequestration through S1P lyase inhibition and disruption of S1P gradients.

Journal: Science (New York, N.Y.) 20050909

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Tags:94944-70-4 Molecular Formula|94944-70-4 MDL|94944-70-4 SMILES|94944-70-4 1-(5-(1,1,2,2-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone