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PDE4-IN-9

CAT: 0931-T60934-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60934-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2519450-32-7
Target
Others, PDE
Related Pathways
Metabolism, Others
Bioactivity
PDE4-IN-9 (Compound 5j) is a potent PDE4 inhibitor with an IC50 value of 1.4 μM against PDE4 in vitro enzyme assays, which is lower than the 2.0 μM of parent rolipram, and demonstrates good in vivo activity in LPS-induced animal models of asthma/COPD and sepsis [1].
Smiles
C(=O)(C=1N=C(OC1)C2=CC=C(OC)C=C2)N3\C(=N\C#N)\SCC3
Molecular Formula
C15H12N4O3S
Molecular Weight
328.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pde4-IN-9
CAS Number2519450-32-7
PubChem CID162662451
IUPAC Name[3-[2-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
Molecular FormulaC15H12N4O3S
Molecular Weight328.3
XLogP2.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity524
SMILES
COC1=CC=C(C=C1)C2=NC(=CO2)C(=O)N3CCSC3=NC#N
InChI
InChI=1S/C15H12N4O3S/c1-21-11-4-2-10(3-5-11)13-18-12(8-22-13)14(20)19-6-7-23-15(19)17-9-16/h2-5,8H,6-7H2,1H3
InChIKey
BNSGBZBUZFHIRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pde4-IN-9
CAS: 2519450-32-7
CID: 162662451
Formula: C15H12N4O3S
MW: 328.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.3
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass328.06301143
Monoisotopic Mass328.06301143
Topological Polar Surface Area117 Ų
Heavy Atom Count23
Formal Charge0
Complexity524
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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GTR19188312-01PDE4-IN-9
HY-169981PDE4-IN-24
HY-162583PDE4-IN-17
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