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Chemical structure of Ensifentrine

GC62466

Ensifentrine

Also known as 2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea

Ensifentrine (RPL-554) is an inhaled first-in-class dual inhibitor of phosphodiesterase 3 (PDE3) and PDE4 with IC50s of 0·4 nM and 1479 nM, respectively

ChemicalCAS1884461-72-6MW477.56FormulaC26H31N5O4
CAS number
1884461-72-6
Molecular weight
477.56
Formula
C26H31N5O4
Solubility
DMSO ： 25 mg/mL (52·35 mM; Need ultrasonic)
InChIKey
CSOBIBXVIYAXFM-UHFFFAOYSA-N
Catalogue number
GC62466
Brand
GLPBIO
Computed properties PubChem CID 9934746 · XLogP 2.7 · TPSA 109 Ų · H-bond donors 2
XLogP
2.7
TPSA
109 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

SMILES CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2CCNC(=O)N)OC)OC)C

Computed descriptors from PubChem (CID 9934746), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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