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Chemical structure of KRN5

GC31489

KRN5

Also known as 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

KRN5, a derivative of KRN2, is an oral active Nuclear factor of activated T cells 5 (NFAT5) suppressor, with an IC50 of 750 nM

ChemicalCAS1800465-47-7MW459.47FormulaC27H22FNO5
CAS number
1800465-47-7
Molecular weight
459.47
Formula
C27H22FNO5
Solubility
DMSO : 6 mg/mL (13·06 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
WSIOACCDMOKVNM-UHFFFAOYSA-N
Catalogue number
GC31489
Brand
GLPBIO
Computed properties PubChem CID 91820677 · XLogP 4.5 · TPSA 57.2 Ų · H-bond donors 0
XLogP
4.5
TPSA
57.2 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34

SMILES COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)CC6=CC=CC=C6F)OC

Computed descriptors from PubChem (CID 91820677), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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