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Chemical structure of D5D-IN-326

GC31515

D5D-IN-326

Also known as 2-(2,2,3,3,3-pentafluoropropoxy)-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

D5D-IN-326 is a selective, orally active delta-5 desaturase (D5D) inhibitor, with IC50s of 72 and 22 nM for rat and human D5D in enzymic and cell-based assays, respectively, has no effect on D6D or D9D activity

ChemicalCAS1236767-85-3MW473.27FormulaC17H11F8N3O4
CAS number
1236767-85-3
Molecular weight
473.27
Formula
C17H11F8N3O4
Solubility
DMSO ： 125 mg/mL (264·12 mM; Need ultrasonic)
InChIKey
NGUQGJZXDBRNOL-UHFFFAOYSA-N
Catalogue number
GC31515
Brand
GLPBIO
Computed properties PubChem CID 59416313 · XLogP 3.4 · TPSA 80.2 Ų · H-bond donors 1
XLogP
3.4
TPSA
80.2 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
32

SMILES C1C2=C(NC1=O)N=C(N(C2=O)C3=CC=C(C=C3)OCC(F)(F)F)OCC(C(F)(F)F)(F)F

Computed descriptors from PubChem (CID 59416313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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