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Chemical structure of Izumerogant

GC75477

Izumerogant

Also known as 4-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-2-methylbutan-2-ol

Izumerogant (IMU-935) is an inverse agonist of retinoid-related orphan receptor-gamma (RORγ)

ChemicalCAS2299252-72-3MW495.86FormulaC22H18ClF4N5O2
CAS number
2299252-72-3
Molecular weight
495.86
Formula
C22H18ClF4N5O2
Solubility
DMSO： 200 mg/mL (403·34 mM; Need ultrasonic)
InChIKey
MRJLIFZIFUEXQG-UHFFFAOYSA-N
Catalogue number
GC75477
Brand
GLPBIO
Computed properties PubChem CID 154695807 · XLogP 3.8 · TPSA 89.9 Ų · H-bond donors 1
XLogP
3.8
TPSA
89.9 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
34

SMILES CC(C)(CCN1C(=C(C=N1)C2=C(C(=NO2)C3=C(C=CC=C3Cl)F)C4=NC=CC=N4)C(F)(F)F)O

Computed descriptors from PubChem (CID 154695807), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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