4-Hydroxy Estradiol 1-N3-Adenine

CAS: 428506-88-1

Ref. TR-H942100

Información del producto

• Nombre: 4-Hydroxy Estradiol 1-N3-Adenine
• Sinónimos: (17ß)-1-(6-Amino-3H-purin-3-yl)estra-1,3,5(10)-triene-3,4,17-triol, 4-OH-E2-1-N3Ade

Descripción

Applications 4-Hydroxy Estradiol 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: 421.49
• Fórmula: C₂₃H₂₇N₅O₃
• Color/Forma: Neat
• InChI: InChI=1S/C23H27N5O3/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/h8-12,14,17,29-31H,2-7,24H2,1H3/t11-,12+,14+,17+,23+/m1/s1
• Clave InChI: InChIKey=LWOXXVDIEGNZNP-GXPADDFNSA-N
• SMILES: C[C@]12CC[C@@H]3c4c(-n5cnc(N)c6ncnc5-6)cc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O