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(±) -CPSI-1306

CAT: 0931-T17315-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T17315-05Size:200 mg
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CAS Number
1309793-47-2
Target
MIF, Others
Related Pathways
Others, Immunology/Inflammation
Purity
0.9798
Bioactivity
(±) -CPSI-1306 (2- (3- (2,4-Difluorophenyl) -4,5-dihydroisoxazol-5-yl) -1-morpholinoethan-1-one) is a macrophage migration inhibitory factor (MIF) antagonist and can be used in studies about non-insulin-dependent diabetes mellitus (NIDDM) and the prevention of the deleterious cutaneous effects of acute and chronic UVB exposure.
Smiles
Fc1ccc(C2=NOC(CC(=O)N3CCOCC3)C2)c(F)c1
Molecular Formula
C15H16F2N2O3
Molecular Weight
310.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone
CAS Number1309793-47-2
PubChem CID59723793
IUPAC Name2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30
XLogP1.1
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity441
SMILES
C1COCCN1C(=O)CC2CC(=NO2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2
InChIKey
GUWOSEVHCSNYFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone
CAS: 1309793-47-2
CID: 59723793
Formula: C15H16F2N2O3
MW: 310.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.30
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass310.11289870
Monoisotopic Mass310.11289870
Topological Polar Surface Area51.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes