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XRK3F2

CAT: 0931-T13360-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13360-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2375193-43-2
Target
Autophagy, p62
Related Pathways
Autophagy
Purity
0.9912
Bioactivity
XRK3F2 is an inhibitor of the p62-ZZ domain, blunts MM-induced Runx2 suppression in vitro, and induces new bone formation and remodeling in the presence of tumor in vivo.
Smiles
Cl.OCCNCc1ccc(OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1
Molecular Formula
C23H24ClF2NO3
Molecular Weight
435.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((3,4-Bis((4-fluorobenzyl)oxy)benzyl)amino)ethanol hydrochloride
CAS Number2375193-43-2
PubChem CID135397144
IUPAC Name2-[[3,4-bis[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
Molecular FormulaC23H24ClF2NO3
Molecular Weight435.9
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity440
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)CNCCO)OCC3=CC=C(C=C3)F)F.Cl
InChI
InChI=1S/C23H23F2NO3.ClH/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18;/h1-10,13,26-27H,11-12,14-16H2;1H
InChIKey
OKFZPRHMUQRCLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3,4-Bis((4-fluorobenzyl)oxy)benzyl)amino)ethanol hydrochloride
CAS: 2375193-43-2
CID: 135397144
Formula: C23H24ClF2NO3
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass435.1412776
Monoisotopic Mass435.1412776
Topological Polar Surface Area50.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
558760XRK3F2
M33173-01XRK3F2 B

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