4-Hydroxy Estrone 1-N3-Adenine

CAS: 488841-24-3

Ref. TR-H942110

Produktinformation

• Name: 4-Hydroxy Estrone 1-N3-Adenine
• Synonyme: 1-(6-Amino-3H-purin-3-yl)-3,4-dihydroxyestra-1,3,5(10)-trien-17-one, 4-OH-E1-1-N3Ade
• Marke: TRC
• Beschreibung: 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),

Chemische Eigenschaften

• Molekulargewicht: 419.48
• Formel: C₂₃H₂₅N₅O₃
• Farbe/Form: Neat
• InChl: 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/h8-12,14,24,29,31H,2-7H2,1H3,(H,25,26)/t11-,12+,14+,23+/m1/s1
• InChI Key: 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