Product Information
Name:2-Hydroxy Estradiol 1-N3-Adenine
Controlled Product
Synonyms:
- (8R,9S,13S,14S,17S)-1-(6-Amino-3H-purin-3-yl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol
Brand:TRC
Description:Applications 2-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), Paula, M. et al.: J Steroid Biochem. Mol. Biol., 101, 204 (2006);
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Chemical properties
Molecular weight:421.492
Formula:C23H27N5O3
Color/Form:Neat
InChI:InChI=1S/C23H27N5O3/c1-23-7-6-13-12(14(23)4-5-16(23)30)3-2-11-8-15(29)20(31)19(17(11)13)28-10-27-21(24)18-22(28)26-9-25-18/h8-10,12-14,16,29-31H,2-7,24H2,1H3/t12-,13+,14+,16+,23+/m1/s1
InChI key:InChIKey=YRRNQFOEAGNKFZ-ONJHGTTKSA-N
SMILES:C[C@]12CC[C@@H]3c4c(cc(O)c(O)c4-n4cnc(N)c5ncnc4-5)CC[C@H]3[C@@H]1CC[C@@H]2O
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