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Uracil-d1-1

CAT: 0804-HY-I0960S8-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-I0960S8-01Size:1 mg
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Description
Uracil-d1-1 is the deuterium labeled Uracil[1]. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA[2].
CAS Number
24897-51-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
O=C1NC(NC([2H])=C1)=O
Molecular Formula
C4H3DN2O2
Molecular Weight
113.09
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Pałasz A, et al. In search of uracil derivatives as bioactive agents. Uracils and fused uracils: Synthesis, biological activity and applications. Eur J Med Chem. 2015 Jun 5;97:582-611.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Uracil-6-D1

See also: Uracil (annotation moved to).

CAS Number24897-51-6
PubChem CID102601786
IUPAC Name6-deuterio-1H-pyrimidine-2,4-dione
Molecular FormulaC4H4N2O2
Molecular Weight113.09
XLogP-1.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity161
SMILES
[2H]C1=CC(=O)NC(=O)N1
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i2D
InChIKey
ISAKRJDGNUQOIC-VMNATFBRSA-N
Chemical Structure
2D Structure
2D structure of Uracil-6-D1
CAS: 24897-51-6
CID: 102601786
Formula: C4H4N2O2
MW: 113.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.09
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.033554121
Monoisotopic Mass113.033554121
Topological Polar Surface Area58.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity161
Isotope Atom Count1
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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