3,4-Bis((tert-butyldimethylsilyl)oxy) Estrone 1-N3-Adenine

Ref. TR-B415793

Product Information

• Name: 3,4-Bis((tert-butyldimethylsilyl)oxy) Estrone 1-N3-Adenine
• Synonyms: (8R,9S,13S,14S)-1-(6-Amino-4,7-dihydro-3H-purin-3-yl)-3,4-bis((tert-butyldimethylsilyl)oxy)-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one

Description

Applications 3,4-Bis((tert-butyldimethylsilyl)oxy) Estrone 1-N3-Adenine is an intermediate in the synthesis of 4-Hydroxy Estrone 1-N3-Adenine which 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: 534.71
• Formula: C₃₅H₅₅N₅O₃Si₂
• Color/Form: Light Green
• InChI: InChI=1S/C24H46N4O7S/c25-7-3-9-31-11-13-33-15-17-35-18-16-34-14-12-32-10-4-8-26-22(29)6-2-1-5-21-23-20(19-36-21)27-24(30)28-23/h20-21,23H,1-19,25H2,(H,26,29)(H2,27,28,30)/t20-,21-,23-/m0/s1
• InChI key: InChIKey=AAPRTYNXINRWDQ-FUDKSRODSA-N
• SMILES: NCCCOCCOCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12