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A 81282

CAT: 0013-GTR19198398-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198398-01Size:25 mg
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Description
A 81282 is a selective angiotensin receptor antagonist used in research to study hypertension. It is applied in both in vitro binding assays and in vivo models to investigate the renin-angiotensin system and mechanisms of blood pressure regulation.
CAS Number
141872-46-0
Field of Research
Metabolism Research
Smiles
O=C (O) C=1C=NC=NC1N (CC=2C=CC (=CC2) C=3C=CC=CC3C4=NN=NN4) CCCC
Molecular Formula
C23H23N7O2
Molecular Weight
429.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Butyl((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-5-pyrimidinecarboxylic acid

a non-peptide selective antagonist of angiotensin receptors; structure given in first source

CAS Number141872-46-0
PubChem CID192314
IUPAC Name4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
Molecular FormulaC23H23N7O2
Molecular Weight429.5
XLogP3.8
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity587
SMILES
CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=NC=C4C(=O)O
InChI
InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKey
AHZXSVWCNDLJER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Butyl((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-5-pyrimidinecarboxylic acid
CAS: 141872-46-0
CID: 192314
Formula: C23H23N7O2
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass429.19132300
Monoisotopic Mass429.19132300
Topological Polar Surface Area121 Ų
Heavy Atom Count32
Formal Charge0
Complexity587
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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