4-Hydroxy Estradiol 1-N3-Adenine

CAS: 428506-88-1

Ref. TR-H942100

Product Information

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

Description

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),

• Brand: TRC

Chemical properties

• Molecular weight: 421.49
• Formula: C₂₃H₂₇N₅O₃
• Color/Form: 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
• InChI key: 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