Products for Research Use Only
RegisterLogin

AU-461

CAT: 0013-GTR19210210-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19210210-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AU-461 is a small molecule inhibitor of the gastric H+/K+ ATPase (proton pump), making it a tool for studying anti-ulcer mechanisms. It is applicable for in vitro enzymatic assays and in vivo models of gastric acid-related disorders, supporting research in gastroenterology and pharmacology.
CAS Number
220854-06-8
Smiles
N (CCO) C=1C2=C (C=3C (=C (OCC (F) (F) F) C=CC3) N1) N (CC2) C4=C (C) C=C (OC) C=C4
Molecular Formula
C23H24F3N3O3
Molecular Weight
447.45
Storage Conditions
-20°C
Notes
For research use only.

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
GTR19208139-01AM-461
GTR19199308-01DF-461
GTR19194989-01CP 461
GTR19194910CS 461
GTR19210207-01AU-006
GTR19261927-01AU-24118
GTR19269031-01AU-16235
GTR19261274-01Npx-Au
GTR19204142-01AU-224
GTR19244005-01AU-15330

Alternative Products

CatalogName
MBS5812346AU-461
T71244-01AM-461
HY-16620DF 461
MBS5775051DF-461
MBS5780641CP 461
A8720-25MYK-461
T31104CS 461
HY-145388-01AU-15330
HY-165489AU-006
ABC-TC0056AU-565

Popular Products