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KRN5

CAT: 1410-M26570-01Size: 1 EachDry Ice: NoHazardous: No
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Description
KRN5 has potential to treat NFAT5-mediated Chronic Arthritis. KRN5, a derivative of KRN2, is an oral active Nuclear factor of activated T cells 5 (NFAT5) suppressor, with an IC50 of 750 nM.
CAS Number
1800465-47-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.473
Molecular Formula
C27H22FNO5
Notes
Research use only, not for human use.
Receptor
——

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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