4-Hydroxy Estradiol 1-N7-Guanine

CAS: 178971-91-0

Ref. TR-H942115

Product Information

• Name: 4-Hydroxy Estradiol 1-N7-Guanine
• Synonyms: 2-Amino-1,7-dihydro-7-[(17ß)-3,4,17-trihydroxyestra-1,3,5(10)-trien-1-yl]-6H-purin-6-one, 4-OH-E2-1-N7Gua

Description

Applications 4-Hydroxy Estradiol 1-N7-Guanine is an estrogen metabolite formed with DNA which can lead to the mutations that initiate breast, prostate, and other types of cancer. Estrogen-DNA depurinating adducts as biomarkers of cancer risk and their use in cancer detection and prevention.
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: 437.49
• Formula: C₂₃H₂₇N₅O₄
• Color/Form: Neat
• InChI: InChI=1S/C23H27N5O4/c1-23-7-6-11-10(13(23)4-5-16(23)30)2-3-12-17(11)14(8-15(29)19(12)31)28-9-25-20-18(28)21(32)27-22(24)26-20/h8-11,13,16,29-31H,2-7H2,1H3,(H3,24,26,27,32)/t10-,11+,13+,16+,23+/m1/s1
• InChI key: InChIKey=FRKBGPSXUBCIFE-URRUNNDYSA-N
• SMILES: C[C@]12CC[C@@H]3c4c(-n5cnc6[nH]c(N)nc(=O)c65)cc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O