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Chemical structure of Roflupram

GC64522

Roflupram

Also known as 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-3-methylbutan-1-one

Roflupram is a selective, orally active and brain-penetrant PDE4 inhibitor, with an IC50 of 26·2 nM for core catalytic domains of human PDE4

ChemicalCAS1093412-18-0MW314.32FormulaC16H20F2O4
CAS number
1093412-18-0
Molecular weight
314.32
Formula
C16H20F2O4
Solubility
DMSO ： 100 mg/mL (318·15 mM; Need ultrasonic)
InChIKey
IXURVUHDDXFYDR-UHFFFAOYSA-N
Catalogue number
GC64522
Brand
GLPBIO
Computed properties PubChem CID 25147798 · XLogP 3.8 · TPSA 44.8 Ų · H-bond donors 0
XLogP
3.8
TPSA
44.8 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
22

SMILES CC(C)CC(=O)C1=CC(=C(C=C1)OC(F)F)OC2CCOC2

Computed descriptors from PubChem (CID 25147798), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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