Compound: PhIP
SMILES: n1c2nc(N)n(c2cc(c1)-c3ccccc3)C
InChIKey: UQVKZNNCIHJZLS-UHFFFAOYSA-N
Synonyms: PhIP, 105650-23-5, 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine, 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine, 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine, 1-Methyl-6-phenyl-1H-imidazo(4,5-b)pyridin-2-amine, 909C6UN66T, 1H-Imidazo(4,5-B)pyridin-2-amine, 1-methyl-6-phenyl-, CHEBI:76290, 2-amino-1-methyl-6-phenyl-1h-imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-1h-imidazo[4,5-b]pyridine, 2-AMP-IP cpd, RefChem:25903, 631-286-0, 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine, MFCD00210745, PIQ, 138370-35-1, UQVKZNNCIHJZLS-UHFFFAOYSA-N, 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine; PhIP;, UNII-909C6UN66T, CCRIS 2954, DTXSID3037628, HSDB 7768, BRN 5951264, PHIP [IARC], (3H)PhIP, PHIP [MI], 1185024-97-8, SCHEMBL151718, orb1706794, CHEMBL1213271, ?-Phenyl-2-pyridineacetamide-d4, 1H-Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-, 2-AMINO-1-METHYL-6-PHENYL-IMIDAZO [4,5-b] PYRIDINE, GLXC-04348, EX-A11049, AKOS022175457, DB08398, MS-23263, DB-040643, HY-118716, CS-0068303, NS00014413, G12486, 2-Amino-1-methyl-6-phenylimidazo[45-b]pyridine, 1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine, 2-Amino-1-methyl-6-phenyl-Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenylimidazo [4,5-b]pyridine, Q4596855, Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-, 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine, 9CI, 2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE, 2-Amino-1-methyl-6-phenylimidazo [4,5-b]pyridine (PhIP), AMINO-1-METHYL-6-PHENYLIMIDAZO(4,5-B)PYRIDINE, 2-, 1H-Imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl- (9CI), 2-AMINO-1-METHYL-6-PHENYLIMIDAZO(4,5-B)PYRIDINE [HSDB], 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP), 1H-Imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl-, labeled with tritium
Theoretical properties:
molecular_formula: C13H12N4
molecular_weight: 224.26 g/mol
exact_mass: 224.106196400 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 17
topological_polar_surface_area: 56.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Gray-white crystals
color: Gray-white crystals
melting_point: 327 °C
solubility: Soluble in methanol, DMSO
vapor_pressure: 0.00000001 [mmHg]
Descriptions:
pubchem: PhiP(2-Amino-1-methyl-6-phenylimidazol[4,5-b]pyridine) can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
chebi: An imidazopyridine that is 1<em>H</em>--imidazo[4,5-<em>b</em>]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish.
chembl: 2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (also known as PhIP) is one of the most abundant heterocyclic amines (HCAs) found in cooked meat. PhIP is formed at high temperatures from the reaction between creatine or creatinine (found in muscle meats), amino acids, and sugar. PhIP formation increases with the temperature and duration of cooking and also depends on the method of cooking and the variety of meat being cooked. The U.S.  Department of Health and Human Services National Toxicology Program has declared PhIP as "reasonably anticipated to be a human carcinogen".  International Agency for Research on Cancer (IARC), part of World Health Organization, has classified PhIP as IARC Group 2B carcinogen (i.e.,  possibly carcinogenic to humans). There is sufficient evidence in experimental animals, as well as in vitro models, for the carcinogenicity of PhIP.