4-Hydroxy Estradiol 1-N3-Adenine

CAS: 428506-88-1

Ref. TR-H942100

Informação sobre produto

• Nome: 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

Descrição

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

Propriedades químicas

• Peso molecular: 421.49
• Fórmula: C₂₃H₂₇N₅O₃
• Cor/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
• Chave 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