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L162389

CAT: 0804-HY-101618-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101618-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L162389 is a potent antagonist of angiotensin AT1 receptor with Ki of 28 nM.
CAS Number
169281-53-2
UNSPSC
12352005
Target
Angiotensin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/L162389.html
Solubility
10 mM in DMSO
Smiles
O=C(OCCCC)NS(=O)(C1=CC=C(CCC)C=C1C2=CC=C(CN3C(CC)=NC4=C(C)C=C(C)N=C43)C=C2)=O
Molecular Formula
C31H38N4O4S
Molecular Weight
562.72
References & Citations
[1]Perlman S, et al. Dual agonistic and antagonistic property of nonpeptide angiotensin AT1 ligands: susceptibility to receptor mutations. Mol Pharmacol. 1997 Feb;51 (2) :301-11.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
AT1 Receptor

Chemical Information

butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-propylphenyl]sulfonylcarbamate
CAS Number169281-53-2
PubChem CID9850834
IUPAC Namebutyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-propylphenyl]sulfonylcarbamate
Molecular FormulaC31H38N4O4S
Molecular Weight562.7
XLogP7.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity904
SMILES
CCCCOC(=O)NS(=O)(=O)C1=C(C=C(C=C1)CCC)C2=CC=C(C=C2)CN3C(=NC4=C3N=C(C=C4C)C)CC
InChI
InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
InChIKey
MLGCITBDCGSKQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-propylphenyl]sulfonylcarbamate
CAS: 169281-53-2
CID: 9850834
Formula: C31H38N4O4S
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass562.26137688
Monoisotopic Mass562.26137688
Topological Polar Surface Area112 Ų
Heavy Atom Count40
Formal Charge0
Complexity904
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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