Acolbifene

Description: Acolbifene, also known as EM-652, or SCH-57068, is a selective estrogen receptor modulator (SERM). Acolbifene is currently being studied in the prevention of breast cancer in women at high risk of breast cancer. EM-652 (SCH 57068) and the prodrug EM-800 (SCH57050) which are the most potent of the known antiestrogens. EM-652 is the compound having the highest affinity for the estrogen receptor, including estradiol. It has higher affinity for the ER than ICI 182780, hydroxytamoxifen, raloxifene, droloxifene and hydroxytoremifene. EM-652 has the most potent inhibitory activity on both ER alpha and ER beta compared to any of the other antiestrogens tested. EM-652 was also the most potent inhibitor of the percentage of cycling cancer cells. ( J Steroid Biochem Mol Biol. 1999 Apr-Jun;69(1-6):51-84.)

Name: Acolbifene
CAS#: 182167-02-8 (free base)
Chemical Formula: C29H31NO4
Exact Mass: 457.22531
Molecular Weight: 457.56074
Elemental Analysis: C, 76.12; H, 6.83; N, 3.06; O, 13.99

IUPAC/Chemical Name: (S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2H-chromen-7-ol

InChi Key: DUYNJNWVGIWJRI-LJAQVGFWSA-N

InChi Code: InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1

SMILES Code: OC1=CC2=C(C=C1)C(C)=C(C3=CC=C(O)C=C3)[C@H](C4=CC=C(OCCN5CCCCC5)C=C4)O2

Appearance: Yellow solid powder