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PDE4-IN-15

CAT: 0804-HY-161381Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161381Size:1 Each
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Description
PDE4-IN-15 (compound 7b-1) is an inhibitor of PDE4 (IC50 = 0.17 μM) and has anti-TNF-α activity (EC50 = 0.19 μM) . PDE4-IN-15 has a good skin permeability[1].
CAS Number
3034837-89-0
UNSPSC
12352005
Target
Phosphodiesterase (PDE) ; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pde4-in-15.html
Solubility
10 mM in DMSO
Smiles
OC[C@H]1C2=C(O[C@@H]1C3=CC(OCC)=C(C=C3)OC)C(OCC)=CC(CCCO)=C2
Molecular Formula
C23H30O6
Molecular Weight
402.48
References & Citations
[1]Chenming Gu, et al. Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model. J Med Chem. 2024, 67, 6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE4

Chemical Information

Pde4-IN-15
CAS Number3034837-89-0
PubChem CID171391755
IUPAC Name3-[(2S,3R)-7-ethoxy-2-(3-ethoxy-4-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Molecular FormulaC23H30O6
Molecular Weight402.5
XLogP3.1
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity474
SMILES
CCOC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)OC)OCC)CCCO
InChI
InChI=1S/C23H30O6/c1-4-27-20-13-16(8-9-19(20)26-3)22-18(14-25)17-11-15(7-6-10-24)12-21(28-5-2)23(17)29-22/h8-9,11-13,18,22,24-25H,4-7,10,14H2,1-3H3/t18-,22+/m0/s1
InChIKey
NWARZTAQZRDFKR-PGRDOPGGSA-N
Chemical Structure
2D Structure
2D structure of Pde4-IN-15
CAS: 3034837-89-0
CID: 171391755
Formula: C23H30O6
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass402.20423867
Monoisotopic Mass402.20423867
Topological Polar Surface Area77.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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