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KR-31080

CAT: 0013-GTR19240432-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240432-01Size:1 mg
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Description
KR-31080 is an imidazo[4,5-b]pyridine-based angiotensin II receptor antagonist. In vitro, at 2 μM, it reduces NO production by 8.3% in LPS-stimulated BV-2 microglial cells, supporting its research use in studying neuroinflammation and cardiovascular pathways.
CAS Number
174800-22-7
Field of Research
Metabolism Research
Smiles
CC1=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
C30H28N8O
Molecular Weight
516.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KR-31080
CAS Number174800-22-7
PubChem CID9806587
IUPAC Name2-butyl-5-methyl-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Molecular FormulaC30H28N8O
Molecular Weight516.6
XLogP4.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity765
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-])C
InChI
InChI=1S/C30H28N8O/c1-3-4-12-28-32-26-18-25(27-11-7-8-17-38(27)39)20(2)31-30(26)37(28)19-21-13-15-22(16-14-21)23-9-5-6-10-24(23)29-33-35-36-34-29/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,33,34,35,36)
InChIKey
DCYGPXCSWDZTIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KR-31080
CAS: 174800-22-7
CID: 9806587
Formula: C30H28N8O
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass516.23860755
Monoisotopic Mass516.23860755
Topological Polar Surface Area111 Ų
Heavy Atom Count39
Formal Charge0
Complexity765
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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