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Avenciguat

CAT: 0804-HY-153092-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153092-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Avenciguat (BI-685509) is a potent and orally active sGC activator. Avenciguat restores cyclic guanosine monophosphate (cGMP) and improves functionality of nitric oxide (NO) pathways. Avenciguat can be used in research of chronic kidney disease (CKD) and diabetic kidney disease (DKD) [1].
CAS Number
1579514-06-9
Product Name Alternative
BI-685509
UNSPSC
12352005
Target
Guanylate Cyclase
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/avenciguat.html
Purity
99.77
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C(OCC)N(C2=NC(C3=C(OCC4=CC=C5C(CCN(C6CCOCC6)C5)=C4C)C(C)=CC=C3)=CC=C2)N=C1)O
Molecular Formula
C34H38N4O5
Molecular Weight
582.69
References & Citations
[1]Reinhart GA, et, al. The Novel, Clinical-Stage Soluble Guanylate Cyclase Activator BI 685509 Protects from Disease Progression in Models of Renal Injury and Disease. J Pharmacol Exp Ther. 2023 Mar;384 (3) :382-392.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid

Avenciguat is under investigation in clinical trial NCT05282121 (A Study to Test Whether BI 685509 Alone or in Combination With Empagliflozin Helps People With Liver Cirrhosis Caused by Viral Hepatitis or Non-alcoholic Steatohepatitis (NASH) Who Have High Blood Pressure in the Portal Vein (Main Vessel Going to the Liver)).

CAS Number1579514-06-9
PubChem CID89992620
IUPAC Name5-ethoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
Molecular FormulaC34H38N4O5
Molecular Weight582.7
XLogP3.2
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity904
SMILES
CCOC1=C(C=NN1C2=CC=CC(=N2)C3=CC=CC(=C3OCC4=C(C5=C(CN(CC5)C6CCOCC6)C=C4)C)C)C(=O)O
InChI
InChI=1S/C34H38N4O5/c1-4-42-33-29(34(39)40)19-35-38(33)31-10-6-9-30(36-31)28-8-5-7-22(2)32(28)43-21-25-12-11-24-20-37(16-13-27(24)23(25)3)26-14-17-41-18-15-26/h5-12,19,26H,4,13-18,20-21H2,1-3H3,(H,39,40)
InChIKey
KWNFFNFBUMFTHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CAS: 1579514-06-9
CID: 89992620
Formula: C34H38N4O5
MW: 582.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.7
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass582.28422033
Monoisotopic Mass582.28422033
Topological Polar Surface Area98.9 Ų
Heavy Atom Count43
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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