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ABE171

CAT: 0013-GTR19210653-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210653-03Size:100 mg
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Description
NVP-ABE171 is a potent, pan-PDE4 inhibitor with anti-inflammatory properties. It demonstrates nanomolar activity in vitro by suppressing oxidative bursts and cytokine release from human immune cells, and shows in vivo efficacy in animal models of lung inflammation by inhibiting airway neutrophil influx.
CAS Number
426268-06-6
Smiles
C (O) (=O) C1=CC=C (C=2N=C (C3=C (C2) C=CC=N3) C4=CC=5C (C=C4) =NON5) C=C1
Molecular Formula
C21H12N4O3
Molecular Weight
368.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nvp abe171

inhibits phosphodiesterase 4; structure in first source

CAS Number426268-06-6
PubChem CID9799389
IUPAC Name4-[8-(2,1,3-benzoxadiazol-5-yl)-1,7-naphthyridin-6-yl]benzoic acid
Molecular FormulaC21H12N4O3
Molecular Weight368.3
XLogP3.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity568
SMILES
C1=CC2=CC(=NC(=C2N=C1)C3=CC4=NON=C4C=C3)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)
InChIKey
IALXIRPKVRUJQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp abe171
CAS: 426268-06-6
CID: 9799389
Formula: C21H12N4O3
MW: 368.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.3
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass368.09094026
Monoisotopic Mass368.09094026
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity568
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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