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D 22888

CAT: 0013-GTR19209852-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209852-02Size:50 mg
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Description
D 22888 is a selective phosphodiesterase 4 (PDE4) inhibitor used in biochemical research. It is a valuable tool compound for studying PDE4 signaling pathways in cellular models and has been utilized in preclinical studies investigating inflammation and central nervous system function.
CAS Number
182282-60-6
Smiles
C (C) C=1N2C=3C (N (CCC) C (=O) C2=C (C) N1) =CC=C (OC) N3
Molecular Formula
C16H20N4O2
Molecular Weight
300.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D 22888

a PDE4 inhibitor; structure in first source

CAS Number182282-60-6
PubChem CID197714
IUPAC Name3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
Molecular FormulaC16H20N4O2
Molecular Weight300.36
XLogP2.8
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity419
SMILES
CCCN1C2=C(N=C(C=C2)OC)N3C(=NC(=C3C1=O)C)CC
InChI
InChI=1S/C16H20N4O2/c1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21/h7-8H,5-6,9H2,1-4H3
InChIKey
PJRYVTGCPZXGEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D 22888
CAS: 182282-60-6
CID: 197714
Formula: C16H20N4O2
MW: 300.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.36
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass300.15862589
Monoisotopic Mass300.15862589
Topological Polar Surface Area60.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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