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PhIP-d3

CAT: 0804-HY-118716S-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118716S-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PhIP-d3 (2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine-d3) is the deuterium labeled PhIP. PhIP (2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine) is the most abundant of generation of heterocyclic amines (HCA), resulted in the cooking of meat[1][2]. DNA damaging and mutagenic activities. PhIP also has oestrogenic activity that could contribute to its tissue specific carcinogenicity[2].
CAS Number
210049-13-1
Product Name Alternative
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine-d3
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Cancer
Smiles
[2H]C([2H])([2H])N1C(N)=NC2=NC=C(C=C21)C3=CC=CC=C3
Molecular Formula
C13H9D3N4
Molecular Weight
227.28
References & Citations
[1]Bellamri M, et al. Metabolic Activation of the Cooked Meat Carcinogen 2-Amino-1-Methyl-6-Phenylimidazo[4,5-b]Pyridine in Human Prostate. Toxicol Sci. 2018 Jun 1;163 (2) :543-556.|[2]Papaioannou MD, et ak. The cooked meat-derived mammary carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) elicits estrogenic-like microRNA responses in breast cancer cells. Toxicol Lett. 2014 Aug 17;229 (1) :9-16.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

PhIP-D3
CAS Number210049-13-1
PubChem CID45359067
IUPAC Name6-phenyl-1-(trideuteriomethyl)imidazo[4,5-b]pyridin-2-amine
Molecular FormulaC13H12N4
Molecular Weight227.28
XLogP2.2
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity264
SMILES
[2H]C([2H])([2H])N1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)/i1D3
InChIKey
UQVKZNNCIHJZLS-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of PhIP-D3
CAS: 210049-13-1
CID: 45359067
Formula: C13H12N4
MW: 227.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.28
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass227.125026638
Monoisotopic Mass227.125026638
Topological Polar Surface Area56.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity264
Isotope Atom Count3
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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