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FERb 033

CAT: 0804-HY-103446Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-103446Size:1 Each
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Description
FERb 033 is a selective and potent ERβ agonist (Ki=7.1 nM, EC50=4.8 nM) . FERb 033 shows 62-fold selectivity over ERα[1].
CAS Number
1111084-78-6
UNSPSC
12352005
Target
Estrogen Receptor/ERR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/ferb-033.html
Solubility
10 mM in DMSO
Smiles
ClC1=C(C2=CC(F)=C(O)C=C2)C=CC(/C=N/O)=C1O
Molecular Formula
C13H9ClFNO3
Molecular Weight
281.67
References & Citations
[1]Filippo Minutolo, et al. Structural evolutions of salicylaldoximes as selective agonists for estrogen receptor beta. J Med Chem. 2009 Feb 12;52 (3) :858-67.|[2]Satomi Kohno, et al. Estrogen receptor 1 (ESR1; ERα), not ESR2 (ERβ), modulates estrogen-induced sex reversal in the American alligator, a species with temperature-dependent sex determination. Endocrinology. 2015 May;156 (5) :1887-99.|[3]Sangeeta Bhallamudi, et al. Estrogen receptors differentially regulate intracellular calcium handling in human nonasthmatic and asthmatic airway smooth muscle cells. Am J Physiol Lung Cell Mol Physiol. 2020 Jan 1;318 (1) :L112-L124.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERα; ERβ

Chemical Information

2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CAS Number1111084-78-6
PubChem CID135931707
IUPAC Name2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
Molecular FormulaC13H9ClFNO3
Molecular Weight281.66
XLogP3.3
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
C1=CC(=C(C=C1C2=C(C(=C(C=C2)/C=N/O)O)Cl)F)O
InChI
InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
InChIKey
LRRMQNGSYOUANY-OMCISZLKSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CAS: 1111084-78-6
CID: 135931707
Formula: C13H9ClFNO3
MW: 281.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.66
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass281.0254990
Monoisotopic Mass281.0254990
Topological Polar Surface Area73.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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