Chemistry:Acolbifene

Acolbifene
Clinical data
Other names	EM-652; SCH-57068
Drug class	Selective estrogen receptor modulator
Identifiers
	IUPAC name (2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;
CAS Number	252555-01-4;
PubChem CID	155435;
ChemSpider	136930;
UNII	KXC7811DBY;
ChEMBL	ChEMBL68055;
Chemical and physical data
Formula	C29H31NO4
Molar mass	457.570 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O;
	InChI 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; Key:DUYNJNWVGIWJRI-LJAQVGFWSA-N;

Short description: Chemical compound

Acolbifene (INN) (developmental code names EM-652, SCH-57068) is a nonsteroidal selective estrogen receptor modulator (SERM) which, as of 2015, is in phase III clinical trials for the treatment of breast cancer.^[1]^[2]

References

↑ "Synthesis and structure-activity relationships of analogs of EM-652 (acolbifene), a pure selective estrogen receptor modulator. Study of nitrogen substitution". Journal of Enzyme Inhibition and Medicinal Chemistry 20 (2): 165–77. April 2005. doi:10.1080/14756360500043448. PMID 15968821.
↑ "Acolbifene - Endoceutics". Adis Insight. Springer Nature Switzerland AG. http://adisinsight.springer.com/drugs/800013630.

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