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ISM5939

CAT: 0013-GTR19263626-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263626-01Size:25 mg
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Description
ISM5939 is an orally active and selective ENPP1 inhibitor, with an IC50 value of 0.63 nM for 2,3-cGAMP degradation and 9.28 nM for ATP hydrolysis. Additionally, ISM5939 exhibits antitumor activity.
CAS Number
2965301-60-2
Field of Research
Metabolism Research
Smiles
O=S (=O) (N) C1=CN=C (C (F) =C1) CN2C (=NC=3C=NC (OC) =C (C4=CC=CC=C4) C32) C
Molecular Formula
C20H18FN5O3S
Molecular Weight
427.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C5V8X68FY8
CAS Number2965301-60-2
PubChem CID169755733
IUPAC Name5-fluoro-6-[(6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]pyridine-3-sulfonamide
Molecular FormulaC20H18FN5O3S
Molecular Weight427.5
XLogP1.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity686
SMILES
CC1=NC2=CN=C(C(=C2N1CC3=C(C=C(C=N3)S(=O)(=O)N)F)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H18FN5O3S/c1-12-25-16-10-24-20(29-2)18(13-6-4-3-5-7-13)19(16)26(12)11-17-15(21)8-14(9-23-17)30(22,27)28/h3-10H,11H2,1-2H3,(H2,22,27,28)
InChIKey
ZABZNDRRLTXBHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C5V8X68FY8
CAS: 2965301-60-2
CID: 169755733
Formula: C20H18FN5O3S
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass427.11143879
Monoisotopic Mass427.11143879
Topological Polar Surface Area121 Ų
Heavy Atom Count30
Formal Charge0
Complexity686
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
T211229-01ISM5939

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