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KR 60436

CAT: 0013-GTR19210209-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210209-02Size:50 mg
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Description
KR 60436 is a potent and selective small molecule inhibitor of the gastric H+/K+ ATPase proton pump. It is a valuable research tool for investigating gastric acid secretion in both in vitro and in vivo models of acid-related disorders.
CAS Number
220853-65-6
Field of Research
Pharmacology & Drug Discovery
Smiles
N (CCO) C=1C2=C (C=3C (=C (OC (F) (F) F) C=CC3) N1) N (CC2) C4=C (C) C=C (OC) C=C4
Molecular Formula
C22H22F3N3O3
Molecular Weight
433.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KR-62436

dipeptidyl peptidase-IV inhibitor with anti-hyperglycemic activity; structure in first source

CAS Number220853-65-6
PubChem CID10113707
IUPAC Name2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
Molecular FormulaC22H22F3N3O3
Molecular Weight433.4
XLogP3.7
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
CC1=C(C=CC(=C1)OC)N2CCC3=C2C4=C(C(=CC=C4)OC(F)(F)F)N=C3NCCO
InChI
InChI=1S/C22H22F3N3O3/c1-13-12-14(30-2)6-7-17(13)28-10-8-16-20(28)15-4-3-5-18(31-22(23,24)25)19(15)27-21(16)26-9-11-29/h3-7,12,29H,8-11H2,1-2H3,(H,26,27)
InChIKey
ZFDXQUVDLKGYIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KR-62436
CAS: 220853-65-6
CID: 10113707
Formula: C22H22F3N3O3
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass433.16132606
Monoisotopic Mass433.16132606
Topological Polar Surface Area66.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
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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