4-Hydroxy Estrone 1-N3-Adenine

CAS: 488841-24-3

Ref. TR-H942110

Información del producto

• Nombre: 4-Hydroxy Estrone 1-N3-Adenine
• Sinónimos: 1-(6-Amino-3H-purin-3-yl)-3,4-dihydroxyestra-1,3,5(10)-trien-17-one, 4-OH-E1-1-N3Ade

Descripción

Applications 4-Hydroxy Estrone 1-N3-Adenine is an estrogen metabolite formed with DNA which can lead to the mutations that initiate breast, prostate, and other types of cancer. The N3Ade depurinating adducts could serve as biomarkers to predict the risk of breast cancer.
References Chakravarti, D., et al.: Mutat. Res., 456, 17 (2000), Liehr, J., et al.: Endocr. Rev., 21, 4054 (2000), Chakravarti, D., et al.: Oncogene, 20, 7945 (2001), Cavalieri, E., et al.: Chem. Res. Toxicol., 14, 1041 (2002),

• Marca: TRC

Propiedades químicas

• Peso molecular: 419.48
• Fórmula: C₂₃H₂₅N₅O₃
• Color/Forma: Neat
• InChI: InChI=1S/C23H25N5O3/c1-23-7-6-12-11(14(23)4-5-17(23)30)2-3-13-18(12)15(8-16(29)20(13)31)28-10-27-21(24)19-22(28)26-9-25-19/h8-12,14,29,31H,2-7,24H2,1H3/t11-,12+,14+,23+/m1/s1
• Clave InChI: InChIKey=LVRDBTPLRBNEKH-RPRYFYCUSA-N
• SMILES: C[C@]12CC[C@@H]3c4c(-n5cnc(N)c6ncnc5-6)cc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O