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KR31173

CAT: 0804-HY-165425Size: 1 EachDry Ice: NoHazardous: No
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Description
KR31173 is an AT1 antagonist with an IC50 of 3.27 nM. KR31173 can be used as a positron emission tomography (PET) tracer after being labeled with 11C isotope. KR31173 shows promising biodistribution and pharmacological properties in mice. KR31173 selectively binds to organs known to contain a high density of AT1 angiotensin receptors in CD-1 mice[1].
CAS Number
260554-07-2
UNSPSC
12352005
Target
Angiotensin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Smiles
[O-][N+]1=CC=CC=C1C2=C(COC)N=C(N(CC3=CC=C(C4=CC=CC=C4C5=NN=NN5)C=C3)C(CCCC)=N6)C6=C2
Molecular Formula
C31H30N8O2
Molecular Weight
546.62
References & Citations
[1]Mathews WB, et al. A novel radioligand for imaging the AT1 angiotensin receptor with PET. Nucl Med Biol. 2004 Jul; 31 (5) :571-4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
AT1 Receptor

Chemical Information

KR-31173
CAS Number260554-07-2
PubChem CID10098961
IUPAC Name2-butyl-5-(methoxymethyl)-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Molecular FormulaC31H30N8O2
Molecular Weight546.6
XLogP4.2
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity800
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C(=C2)C6=CC=CC=[N+]6[O-])COC
InChI
InChI=1S/C31H30N8O2/c1-3-4-12-29-32-26-18-25(28-11-7-8-17-39(28)40)27(20-41-2)33-31(26)38(29)19-21-13-15-22(16-14-21)23-9-5-6-10-24(23)30-34-36-37-35-30/h5-11,13-18H,3-4,12,19-20H2,1-2H3,(H,34,35,36,37)
InChIKey
KTIHPEHEYAUWHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KR-31173
CAS: 260554-07-2
CID: 10098961
Formula: C31H30N8O2
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass546.24917223
Monoisotopic Mass546.24917223
Topological Polar Surface Area120 Ų
Heavy Atom Count41
Formal Charge0
Complexity800
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

Alternative Products

CatalogName
T207150-01KR31173

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