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KR31173

CAT: 0931-T207150-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T207150-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
260554-07-2
Target
RAAS
Related Pathways
Endocrinology/Hormones
Bioactivity
KR31173 is an AT1 antagonist with an IC50 of 3.27 nM. When labeled with the 11C isotope, KR31173 can be used as a tracer for positron emission tomography (PET) . In mice, KR31173 exhibits favorable biodistribution and pharmacological characteristics. It selectively binds to organs in CD-1 mice known to have a high density of AT1 angiotensin receptors.
Smiles
COCC1=NC2=C(N=C(CCCC)N2CC3=CC=C(C4=C(C5=NN=NN5)C=CC=C4)C=C3)C=C1C6=[N+]([O-])C=CC=C6
Molecular Formula
C31H30N8O2
Molecular Weight
546.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
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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
HY-165425KR31173

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