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PDE4B-IN-2

CAT: 1410-M34888-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M34888-07Size:500 mg
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Description
PDE4B-IN-2 (A 33) is an orally active and selective PDE4B inhibitor with an IC50 of 15 nM. PDE4B-IN-2 inhibits PDE4D (IC50=1.7 µM) . PDE4B-IN-2 exhibits potent anti-inflammatory effects.
CAS Number
915082-52-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
387.88
Molecular Formula
C19H18ClN3O2S
Notes
Research use only, not for human use.
Receptor
PDE

Chemical Information

2-(4-((2-(5-Chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl)amino)phenyl)acetic acid

an inhibitor of phosphodiesterase type 4B

CAS Number915082-52-9
PubChem CID15951010
IUPAC Name2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino]phenyl]acetic acid
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.9
XLogP5.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity476
SMILES
CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CC=C(S3)Cl)C
InChI
InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKey
FDVSPBLZPJMXFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-((2-(5-Chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl)amino)phenyl)acetic acid
CAS: 915082-52-9
CID: 15951010
Formula: C19H18ClN3O2S
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass387.0808257
Monoisotopic Mass387.0808257
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity476
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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