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Palmitic acid-d4-1

CAT: 0804-HY-N0830S12-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0830S12-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Palmitic acid-d4-1 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. PA can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2][3].
CAS Number
75736-47-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; HSP
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.80
Solubility
10 mM in DMSO|DMF : ≥ 20mg/mL|DMSO : ≥ 20mg/mL|Ethanol : ≥ 30mg/mL
Smiles
CCCCCCCCCCC([2H])([2H])C([2H])([2H])CCCC(O)=O
Molecular Formula
C16H28D4O2
Molecular Weight
260.45
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Harada H, et al. Antitumor activity of palmitic acid found as a selective cytotoxic substance in a marine red alga. Anticancer Res. 2002 Sep-Oct;22 (5) :2587-90.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Hexadecanoic-5,5,6,6-D4 acid
CAS Number75736-47-9
PubChem CID90475915
IUPAC Name5,5,6,6-tetradeuteriohexadecanoic acid
Molecular FormulaC16H32O2
Molecular Weight260.45
XLogP6.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity178
SMILES
[2H]C([2H])(CCCCCCCCCC)C([2H])([2H])CCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i11D2,12D2
InChIKey
IPCSVZSSVZVIGE-AREBVXNXSA-N
Chemical Structure
2D Structure
2D structure of Hexadecanoic-5,5,6,6-D4 acid
CAS: 75736-47-9
CID: 90475915
Formula: C16H32O2
MW: 260.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.45
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass260.265337243
Monoisotopic Mass260.265337243
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity178
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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