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CS-526

CAT: 0931-T27092-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27092-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
313272-12-7
Target
Proton pump, Others
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
CS-526 is a proton pump inhibitor. The inhibitory mechanism of CS-526 on H+, K+-ATPase was a competitive antagonism to the K+ binding site of H+, K+-ATPase, and it was also a reversible inhibition. CS-526 has a potent antisecretory effect on gastric acid secretion without rebound gastric hypersecretion. CS-526 inhibited acute gastric mucosal lesions. CS-526 inhibited histamine-stimulated gastric acid secretion in a dose- and retention time-dependent manner.
Smiles
C(N1C=2C(C(C)=C1C)=CN=NC2OCC3=CC=C(F)C=C3)[C@@H]4[C@@H](C)C4
Molecular Formula
C20H22FN3O
Molecular Weight
339.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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