Products for Research Use Only

Baxdrostat

CAT: 0013-GTR19187180-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187180-05Size:25 mg
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Description
Baxdrostat is a selective small molecule inhibitor of aldosterone synthase (CYP11B2) . It is a valuable research tool for investigating the renin-angiotensin-aldosterone system (RAAS) in models of hypertension and primary aldosteronism, applicable in both in vitro enzymatic assays and in vivo preclinical studies.
CAS Number
1428652-17-8
Product Name Alternative
Aldosterone synthase
Field of Research
Metabolism Research
Purity
98.64% (May vary between batches)
Solubility
H2O:< 1mg/mL (insoluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (9.08 mM) ; DMSO:90 mg/mL (247.63 mM)
Smiles
CCC (=O) N[C@@H]1CCCc2c1cncc2-c1ccc2N (C) C (=O) CCc2c1
Molecular Formula
C22H25N3O2
Molecular Weight
363.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Baxdrostat

Baxdrostat is under investigation in clinical trial NCT06344104 (A Phase III Study to Investigate the Efficacy and Safety of Baxdrostat in Asian Participants With Uncontrolled Hypertension on Two or More Medications Including Participants With Resistant Hypertension).

CAS Number1428652-17-8
PubChem CID71535962
IUPAC NameN-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Molecular FormulaC22H25N3O2
Molecular Weight363.5
XLogP2.2
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity566
SMILES
CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C
InChI
InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKey
VDEUDSRUMNAXJG-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Baxdrostat
CAS: 1428652-17-8
CID: 71535962
Formula: C22H25N3O2
MW: 363.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass363.19467705
Monoisotopic Mass363.19467705
Topological Polar Surface Area62.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity566
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