Products for Research Use Only
RegisterLogin

AU-461

CAT: 0804-HY-165498Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-165498Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AU-461 is an orally active and reversible inhibitor of the gastric H⁺/K⁺ ATPase with IC₅₀ values for rabbit-derived and pig-derived enzymes are 12.15 μM and 4.20 μM respectively. AU-461 competes with activated cationic K⁺ (Kᵢ = 1.64 μM) . AU-461 reduces both histamine-stimulated gastric acid secretion and basal gastric acid secretion in rats. AU-461 inhibits ulcer formation caused by ethanol or sodium hydroxide, and restores the plasma gastrin level to normal. AU-461 can be used for the study of peptic ulcers[1].
CAS Number
220854-06-8
UNSPSC
12352005
Target
Na+/K+ ATPase
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Metabolic Disease
Smiles
CC1=C(N2C3=C(CC2)C(NCCO)=NC4=C3C=CC=C4OCC(F)(F)F)C=CC(OC)=C1
Molecular Formula
C23H24F3N3O3
Molecular Weight
447.45
References & Citations
[1]Cheon HG, et al. Pharmacological properties of the gastric H (+) /K (+) ATPase inhibitor, AU-461. Pharmacology. 2000 Apr;60 (3) :161-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AU-461
CAS Number220854-06-8
PubChem CID9868235
IUPAC Name2-[[1-(4-methoxy-2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
Molecular FormulaC23H24F3N3O3
Molecular Weight447.4
XLogP3.6
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity611
SMILES
CC1=C(C=CC(=C1)OC)N2CCC3=C2C4=C(C(=CC=C4)OCC(F)(F)F)N=C3NCCO
InChI
InChI=1S/C23H24F3N3O3/c1-14-12-15(31-2)6-7-18(14)29-10-8-17-21(29)16-4-3-5-19(32-13-23(24,25)26)20(16)28-22(17)27-9-11-30/h3-7,12,30H,8-11,13H2,1-2H3,(H,27,28)
InChIKey
ZCVASKPNMMKIKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AU-461
CAS: 220854-06-8
CID: 9868235
Formula: C23H24F3N3O3
MW: 447.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass447.17697612
Monoisotopic Mass447.17697612
Topological Polar Surface Area66.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity611
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

Related Products

CatalogName
HY-16620DF 461
HY-13214AM-461
HY-107163CS 461
HY-16372-01CP 461
HY-145388-01AU-15330
HY-165489AU-006
HY-165569AU-1421
HY-149879Npx-Au
HY-163410-01AU-24118
HY-U00020-01AU-224

Alternative Products

CatalogName
MBS5812346AU-461
T71244-01AM-461
MBS5775051DF-461
MBS5780641CP 461
A8720-25MYK-461
T31104CS 461
T39954-01AU-15330
ABC-TC0056AU-565
MBS5768246AU-224
NM000667Au Nanoparticles

Popular Products