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Creatine ethyl ester

CAT: 0804-HY-165632Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-165632Size:1 mg
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Description
Creatine ethyl ester (CEE) is a readily available form of creatine used in supplements. Creatine ethyl ester (CEE) upregulates TLRs (TLR2, 3, 4 and TLR7) over the short-term[1].
CAS Number
15366-29-7
Product Name Alternative
CEE
UNSPSC
12352211
Target
Toll-like Receptor (TLR)
Related Pathways
Immunology/Inflammation
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
90.000000
Smiles
O=C(CN(C)C(N)=N)OCC
Molecular Formula
C6H13N3O2
Molecular Weight
159.19
References & Citations
[1]Korey M Leland, et al. Effect of creatine, creatinine, and creatine ethyl ester on TLR expression in macrophages. Int Immunopharmacol. 2011 Sep;11 (9) :1341-7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 4
Isoform
TLR2; TLR3; TLR4; TLR7

Chemical Information

N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CAS Number15366-29-7
PubChem CID10197817
IUPAC Nameethyl 2-[carbamimidoyl(methyl)amino]acetate
Molecular FormulaC6H13N3O2
Molecular Weight159.19
XLogP-0.5
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CCOC(=O)CN(C)C(=N)N
InChI
InChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)
InChIKey
UFUWQSYRGLMLKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CAS: 15366-29-7
CID: 10197817
Formula: C6H13N3O2
MW: 159.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.19
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass159.100776666
Monoisotopic Mass159.100776666
Topological Polar Surface Area79.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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