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KRN5

CAT: 0013-GTR19204297-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204297-01Size:2 mg
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Description
KRN5 is a potent small molecule inhibitor of NFAT5, exhibiting an IC50 of 750 nM. It serves as a valuable research tool for investigating NFAT5's role in cellular osmoadaptation and inflammation, with applications in studies of chronic arthritis and related inflammatory diseases in both cellular and animal models.
CAS Number
1800465-47-7
Product Name Alternative
KRN 5, KRN5, KRN-5, NFAT5
Purity
98.82% (May vary between batches)
Solubility
DMSO:5 mg/mL (10.88 mM)
Smiles
COc1ccc2c (Cc3ccccc3F) c3-c4cc5OCOc5cc4CCn3c (=O) c2c1OC
Molecular Formula
C27H22FNO5
Molecular Weight
459.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

21-[(2-Fluorophenyl)methyl]-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
CAS Number1800465-47-7
PubChem CID91820677
IUPAC Name21-[(2-fluorophenyl)methyl]-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
Molecular FormulaC27H22FNO5
Molecular Weight459.5
XLogP4.5
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity819
SMILES
COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)CC6=CC=CC=C6F)OC
InChI
InChI=1S/C27H22FNO5/c1-31-21-8-7-17-19(11-16-5-3-4-6-20(16)28)25-18-13-23-22(33-14-34-23)12-15(18)9-10-29(25)27(30)24(17)26(21)32-2/h3-8,12-13H,9-11,14H2,1-2H3
InChIKey
WSIOACCDMOKVNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 21-[(2-Fluorophenyl)methyl]-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
CAS: 1800465-47-7
CID: 91820677
Formula: C27H22FNO5
MW: 459.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass459.14820096
Monoisotopic Mass459.14820096
Topological Polar Surface Area57.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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