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Dguo-Phip-[d3]

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General Information
Catalog: BLP-012219
CAS: 303173-39-9
Molecular Formula: C23H20D3N9O4
Molecular Weight: 492.51

Chemical Structure

Synonyms	2'-Deoxy-8-{[1-(2H3)methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl]amino}guanosine; 8-(2-Amino-1-methyl-D3-6-phenylimidazo[4,5-b]pyridyl-2'-deoxyguanosine; N-(Deoxyguanosin-8-yl)-2-amino-1-(methyl-d3)-6-phenylimidazo[4,5-β]pyridine
IUPAC Name	2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[[6-phenyl-1-(trideuteriomethyl)imidazo[4,5-b]pyridin-2-yl]amino]-1H-purin-6-one
Related CAS	142784-25-6 (unlabelled)
Canonical SMILES	CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4=NC5=C(N4C6CC(C(O6)CO)O)N=C(NC5=O)N
InChI	InChI=1S/C23H23N9O4/c1-31-13-7-12(11-5-3-2-4-6-11)9-25-18(13)27-22(31)30-23-26-17-19(28-21(24)29-20(17)35)32(23)16-8-14(34)15(10-33)36-16/h2-7,9,14-16,33-34H,8,10H2,1H3,(H3,24,28,29,35)(H,25,26,27,30)/t14-,15+,16+/m0/s1/i1D3
InChI Key	UHVGJHQDVDVQHH-UNSNFXJNSA-N
Purity	98% atom D
Density	1.789 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Pale Yellow to Light Yellow Solid
Application	The deuterated DNA adduct formed from N-Hydroxy-PHIP. Mutagenic nucleotide incorporation and hindered translocation by a food carcinogen C8-dG adduct in Sulfolobus solfataricus P2 DNA polymerase IV (Dpo4).
Storage	Store at -20°C