Products for Research Use Only

L-159282

CAT: 0013-GTR19226480-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226480-02Size:50 mg
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Description
L-159282 is a nonpeptide, orally bioavailable antagonist of the angiotensin II receptor, demonstrating antihypertensive effects. It is utilized in cardiovascular research to study hypertension mechanisms and has been employed in both in vitro binding assays and in vivo animal models of blood pressure regulation.
CAS Number
157263-00-8
Field of Research
Metabolism Research
Smiles
O=C (NS (=O) (=O) C=1C=CC=CC1C2=CC=C (C=C2) CN3C4=NC (=CC (=C4N=C3CC) C) C) C=5C=CC=CC5
Molecular Formula
C30H28N4O3S
Molecular Weight
524.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK 996

an AT1-selective angiotensin II receptor antagonist; structure given in first source

CAS Number157263-00-8
PubChem CID133031
IUPAC NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbenzamide
Molecular FormulaC30H28N4O3S
Molecular Weight524.6
XLogP5.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity894
SMILES
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)N=C(C=C2C)C
InChI
InChI=1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)
InChIKey
LIUNMFCWFYFUGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK 996
CAS: 157263-00-8
CID: 133031
Formula: C30H28N4O3S
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass524.18821194
Monoisotopic Mass524.18821194
Topological Polar Surface Area102 Ų
Heavy Atom Count38
Formal Charge0
Complexity894
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