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SKF96067

CAT: 0804-HY-U00042-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00042-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SKF96067 is a reversible inhibitor of the gastric H+/K+-ATPase.
CAS Number
115607-61-9
UNSPSC
12352005
Target
Proton Pump
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/SKF96067.html
Solubility
10 mM in DMSO
Smiles
CCCC(C1=C(NC2=CC=CC=C2C)C3=CC=CC(OC)=C3N=C1)=O
Molecular Formula
C21H22N2O2
Molecular Weight
334.41
References & Citations
[1]Keeling DJ, et al. SK&F 96067 is a reversible, lumenally acting inhibitor of the gastric (H+ + K+) -ATPase. Biochem Pharmacol. 1991 Jun 21;42 (1) :123-30.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline

reversible, lumenally acting inhibitor of the gastric H(+)+ K(+))-ATPase; structure given in first source

CAS Number115607-61-9
PubChem CID3081087
IUPAC Name1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
Molecular FormulaC21H22N2O2
Molecular Weight334.4
XLogP5.1
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity442
SMILES
CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC
InChI
InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)
InChIKey
MAVJDLHBPIXVJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CAS: 115607-61-9
CID: 3081087
Formula: C21H22N2O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass334.168127949
Monoisotopic Mass334.168127949
Topological Polar Surface Area51.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity442
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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CatalogName
MBS5769989SKF96067

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