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Ibudilast

CAT: 1568-C10478-02Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C10478-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50847-11-5
Synonyms
KC-404, AV411, MN166
SKU
C10478-25mg
Target
PDE
Applications
Metabolism
Smiles
CC (C) C1=NN2C=CC=CC2=C1C (=O) C (C) C
Molecular Formula
C14H18N2O
Additionnal Information
Ibudilast (KC-404, AV411, MN166) is a relatively non-selective phosphodiesterase inhibitor with anti-inflammatory and neuroprotective activities.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ibudilast

Ibudilast is a pyrazolopyridine.

CAS Number50847-11-5
PubChem CID3671
IUPAC Name2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Molecular FormulaC14H18N2O
Molecular Weight230.31
XLogP3
Topological Polar Surface Area34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity288
SMILES
CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
InChI
InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
InChIKey
ZJVFLBOZORBYFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ibudilast
CAS: 50847-11-5
CID: 3671
Formula: C14H18N2O
MW: 230.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.31
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass230.141913202
Monoisotopic Mass230.141913202
Topological Polar Surface Area34.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity288
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

Alternative Products

CatalogName
319626Ibudilast

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