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CS-526

CAT: 1410-M14004-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14004-02Size:5 mg
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Description
CS-526 (AKU 517; R 105266) is a potent, competitive, and reversible acid pump antagonist (potassium-competitive acid blocker) that inhibits H+, K+-ATPase activity with IC50 of 61 nM.
CAS Number
313272-12-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
339.414
Molecular Formula
C20H22FN3O
Notes
Research use only, not for human use.
Receptor
Proton Pump

Chemical Information

CS-526
CAS Number313272-12-7
PubChem CID9833312
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrrolo[2,3-d]pyridazine
Molecular FormulaC20H22FN3O
Molecular Weight339.4
XLogP3.7
Topological Polar Surface Area39.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity456
SMILES
C[C@H]1C[C@@H]1CN2C(=C(C3=CN=NC(=C32)OCC4=CC=C(C=C4)F)C)C
InChI
InChI=1S/C20H22FN3O/c1-12-8-16(12)10-24-14(3)13(2)18-9-22-23-20(19(18)24)25-11-15-4-6-17(21)7-5-15/h4-7,9,12,16H,8,10-11H2,1-3H3/t12-,16+/m0/s1
InChIKey
NXPLYKRKIFPEOA-BLLLJJGKSA-N
Chemical Structure
2D Structure
2D structure of CS-526
CAS: 313272-12-7
CID: 9833312
Formula: C20H22FN3O
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass339.17469050
Monoisotopic Mass339.17469050
Topological Polar Surface Area39.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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