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Vicadrostat

CAT: 0804-HY-163689-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163689-02Size:10 mg
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Description
Vicadrostat is an aldosterone synthase inhibitor (IC50=48 nM) . Vicadrostat can be used for research in kidney diseases and cardiovascular diseases[1].
CAS Number
1868065-21-7
UNSPSC
12352005
Target
Mineralocorticoid Receptor
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Endocrinology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/vicadrostat.html
Purity
98.67
Smiles
O=C1C2=C(C[C@@](C)(O1)CO)N=CN2C3=CC(Cl)=C(C=C3)C#N
Molecular Formula
C15H12ClN3O3
Molecular Weight
317.73
References & Citations
[1]Jennifer Burke, et al. Aldosterone synthase inhibitors.WO2016014736.2018-09-07
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Vicadrostat

Vicadrostat is a small molecule drug. The usage of the INN stem '-drostat' in the name indicates that Vicadrostat is a inhibitor of the synthesis of aldosterone and cortisol. Vicadrostat is under investigation in clinical trial NCT07064473 (A Study to Test Vicadrostat (BI 690517) Taken Together With Empagliflozin in People With Type 2 Diabetes, High Blood Pressure, and Cardiovascular Disease). Vicadrostat has a monoisotopic molecular weight of 317.06 Da.

CAS Number1868065-21-7
PubChem CID118676295
IUPAC Name2-chloro-4-[(6R)-6-(hydroxymethyl)-6-methyl-4-oxo-7H-pyrano[3,4-d]imidazol-3-yl]benzonitrile
Molecular FormulaC15H12ClN3O3
Molecular Weight317.72
XLogP1.8
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity508
SMILES
C[C@@]1(CC2=C(C(=O)O1)N(C=N2)C3=CC(=C(C=C3)C#N)Cl)CO
InChI
InChI=1S/C15H12ClN3O3/c1-15(7-20)5-12-13(14(21)22-15)19(8-18-12)10-3-2-9(6-17)11(16)4-10/h2-4,8,20H,5,7H2,1H3/t15-/m1/s1
InChIKey
MCVIVPZYYMNCAW-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Vicadrostat
CAS: 1868065-21-7
CID: 118676295
Formula: C15H12ClN3O3
MW: 317.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.72
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass317.0567189
Monoisotopic Mass317.0567189
Topological Polar Surface Area88.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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