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Epi-001

CAS No.:
227947-06-0
Catalog Number:
AG00C16A
Molecular Formula:
C21H27ClO5
Molecular Weight:
394.8891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥95%
1 week
United States
$119
- +
10mg
≥95%
1 week
United States
$164
- +
25mg
≥95%
1 week
United States
$244
- +
Product Description
Catalog Number:
AG00C16A
Chemical Name:
Epi-001
CAS Number:
227947-06-0
Molecular Formula:
C21H27ClO5
Molecular Weight:
394.8891
MDL Number:
MFCD02683414
IUPAC Name:
3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
InChI:
InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
InChI Key:
HDTYUHNZRYZEEB-UHFFFAOYSA-N
SMILES:
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.155g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
394.892g/mol
Monoisotopic Mass:
394.155g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Identification and Molecular Interaction Studies of Thyroid Hormone Receptor Disruptors among Household Dust Contaminants. Chemical research in toxicology 20160815
EPI-001 is a selective peroxisome proliferator-activated receptor-gamma modulator with inhibitory effects on androgen receptor expression and activity in prostate cancer. Oncotarget 20150201
Successful micronucleus testing with the EPI/001 3D reconstructed epidermis model: preliminary findings. Mutation research 20120318
Regression of castrate-recurrent prostate cancer by a small-molecule inhibitor of the amino-terminus domain of the androgen receptor. Cancer cell 20100615
Properties