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AT1R antagonist 4

CAT: 0013-GTR19273864-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273864-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AT1R antagonist 4 (Example 26) is an AT1R antagonist that exhibits excellent antagonistic effects on calcium influx in cells stably expressing AT1 and ETA receptors. It is suitable for use in kidney disease research.
CAS Number
2982582-16-9
Smiles
O=C1NC (O) C=2C (=CC=C (Br) C12) NS (=O) (=O) C=3C=CC=C (C#CC4=NOC (=C4C) C) C3
Molecular Formula
C21H16BrN3O5S
Molecular Weight
502.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(7-bromo-3-hydroxy-1-oxo-2,3-dihydroisoindol-4-yl)-3-[2-(4,5-dimethyl-1,2-oxazol-3-yl)ethynyl]benzenesulfonamide
CAS Number2982582-16-9
PubChem CID169098340
IUPAC NameN-(7-bromo-3-hydroxy-1-oxo-2,3-dihydroisoindol-4-yl)-3-[2-(4,5-dimethyl-1,2-oxazol-3-yl)ethynyl]benzenesulfonamide
Molecular FormulaC21H16BrN3O5S
Molecular Weight502.3
XLogP2.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity865
SMILES
CC1=C(ON=C1C#CC2=CC(=CC=C2)S(=O)(=O)NC3=C4C(NC(=O)C4=C(C=C3)Br)O)C
InChI
InChI=1S/C21H16BrN3O5S/c1-11-12(2)30-24-16(11)8-6-13-4-3-5-14(10-13)31(28,29)25-17-9-7-15(22)18-19(17)21(27)23-20(18)26/h3-5,7,9-10,21,25,27H,1-2H3,(H,23,26)
InChIKey
FZAVOMYUAQIDIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(7-bromo-3-hydroxy-1-oxo-2,3-dihydroisoindol-4-yl)-3-[2-(4,5-dimethyl-1,2-oxazol-3-yl)ethynyl]benzenesulfonamide
CAS: 2982582-16-9
CID: 169098340
Formula: C21H16BrN3O5S
MW: 502.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.3
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass500.99940
Monoisotopic Mass500.99940
Topological Polar Surface Area130 Ų
Heavy Atom Count31
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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