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Docosanoic acid-d4-2

CAT: 0804-HY-W013049S5-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013049S5-01Size:5 mg
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Description
Docosanoic acid-d4-2 (Behenic acid-d4-2) is the deuterium labeled Docosanoic acid. Docosanoic acid (Behenic acid) is a long-chain saturated fatty acid. Docosanoic acid inhibits the double-stranded DNA (dsDNA) binding activity of p53 DNA binding domain, with a Kd of 12 nM. Docosanoic acid has low bioavailability and can increase cholesterol in humans[1][2][3].
CAS Number
1193721-65-1
Product Name Alternative
Behenic acid-d4-2
UNSPSC
12352211
Target
DNA/RNA Synthesis; Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCC([2H])([2H])C([2H])([2H])CCCCCC(O)=O
Molecular Formula
C22H40D4O2
Molecular Weight
344.61
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Cater NB, et al. Behenic acid is a cholesterol-raising saturated fatty acid in humans. Am J Clin Nutr. 2001 Jan;73 (1) :41-4.|[3]Moreira DK, et al. Evaluation of structured lipids with behenic acid in the prevention of obesity. Food Res Int. 2017 May;95:52-58. |[4]Iijima H, et al. The inhibitory action of long-chain fatty acids on the DNA binding activity of p53. Lipids. 2006 Jun;41 (6) :521-7.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Docosanoic-7,7,8,8-D4 acid
CAS Number1193721-65-1
PubChem CID131868721
IUPAC Name7,7,8,8-tetradeuteriodocosanoic acid
Molecular FormulaC22H44O2
Molecular Weight344.6
XLogP9.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count24
Formal Charge0
Complexity250
SMILES
[2H]C([2H])(CCCCCCCCCCCCCC)C([2H])([2H])CCCCCC(=O)O
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/i15D2,16D2
InChIKey
UKMSUNONTOPOIO-ONNKGWAKSA-N
Chemical Structure
2D Structure
2D structure of Docosanoic-7,7,8,8-D4 acid
CAS: 1193721-65-1
CID: 131868721
Formula: C22H44O2
MW: 344.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.6
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass344.359237626
Monoisotopic Mass344.359237626
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity250
Isotope Atom Count4
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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