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BAY 41-2272 (Standard)

CAT: 0804-HY-12376R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12376R-01Size:5 mg
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Description
BAY 41-2272 (Standard) is the analytical standard of BAY 41-2272. This product is intended for research and analytical applications. BAY 41-2272 is an orally active and soluble guanylate cyclases (sGC) activator, which increases sGC activity by 400-fold in synergy with NO. BAY 41-2272 potently unloaded the heart, increased cardiac output, thus can be used for cardiovascular diseases research[1][2].
CAS Number
256376-24-6
UNSPSC
12352100
Target
Guanylate Cyclase; Reference Standards
Related Pathways
GPCR/G Protein; Others
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Smiles
NC1=NC(C2=NN(CC3=CC=CC=C3F)C4=NC=CC=C42)=NC=C1C5CC5
Molecular Formula
C20H17FN6
Molecular Weight
360.39
References & Citations
[1]Makrynitsa GI, et al. Mapping of the sGC Stimulator BAY 41-2272 Binding Site on H-NOX Domain and Its Regulation by the Redox State of the Heme. Front Cell Dev Biol. 2022 Jun 17;10:925457. |[2]Vogel J, et al. sGC stimulation lowers elevated blood pressure in a new canine model of resistant hypertension. Hypertens Res. 2021 Dec;44 (12) :1568-1577.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine

BAY 41-2272 is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase. It has a role as a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor and a soluble guanylate cyclase activator. It is an aminopyrimidine, a pyrazolopyridine, a member of cyclopropanes and a member of monofluorobenzenes.

CAS Number256376-24-6
PubChem CID9798973
IUPAC Name5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
Molecular FormulaC20H17FN6
Molecular Weight360.4
XLogP3.1
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity517
SMILES
C1CC1C2=CN=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F
InChI
InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
InChIKey
ATOAHNRJAXSBOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CAS: 256376-24-6
CID: 9798973
Formula: C20H17FN6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass360.14987273
Monoisotopic Mass360.14987273
Topological Polar Surface Area82.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity517
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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