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Pyrimido[1,2-a]purin-10(1H)-one-[13C3]

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General Information
Catalog: BLP-013078
CAS: 1246815-92-8
Molecular Formula: C5[13C]3H5N5O
Molecular Weight: 190.14

Chemical Structure

Description	Pyrimido[1,2-a]purin-10(1H)-one-[13C3] is the labelled analogue of Pyrimido[1,2-a]purin-10(1H)-one (M1G). M1G is a secondary DNA damage product caused by primary reactive oxygen species (ROS) damage of membrane lipids or deoxyribose. It is a guanine adduct formed by the reaction of malondialdehyde with DNA.
Synonyms	Pyrimido[1,2-a]purin-10(1H)-one-13C3; Pyrimido[1,2-a]purin-10(3H)-one-13C3; M1G-13C3
IUPAC Name	1H-(4,5,6-13C3)pyrimidino[1,2-a]purin-10-one
Related CAS	103408-45-3 (unlabelled)
Canonical SMILES	C1=CN2C(=O)C3=C(N=CN3)N=C2N=C1
InChI	InChI=1S/C8H5N5O/c14-7-5-6(11-4-10-5)12-8-9-2-1-3-13(7)8/h1-4H,(H,10,11)/i1+1,2+1,3+1
InChI Key	ZREGNVKUSNORFO-VMIGTVKRSA-N
Boiling Point	561.5°C at 760 mmHg
Melting Point	>173°C (dec.)
Purity	97%; 99.1% atom 13C
Density	1.82 g/cm3
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C