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Ocedurenone

CAT: 0804-HY-132827-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132827-01Size:5 mg
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Description
Ocedurenone is a corticosteroid receptor antagonist. Ocedurenone can be used for the research of kidney disease (WO2018054357, compound I) [1].
CAS Number
1359969-24-6
Product Name Alternative
KBP-5074
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
Assay Protocol
https://www.medchemexpress.com/ocedurenone.html
Purity
99.42
Solubility
DMSO : ≥ 100 mg/mL
Smiles
ClC1=C(C#N)C=CC(N2[C@](C3CCCC3)([H])[C@]4([H])C(C5=CC=C(C(N6CCC(CC6)O)=O)N=C5CC4)=N2)=C1
Molecular Formula
C28H30ClN5O2
Molecular Weight
504.02
References & Citations
[1]WO2018054357
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Ocedurenone

Ocedurenone is a small molecule drug. The usage of the INN stem '-renone' in the name indicates that Ocedurenone is a mineralocorticoid receptor (MR, MCR, aldosterone receptor) antagonist. Ocedurenone is under investigation in clinical trial NCT04968184 (Efficacy and Safety of KBP-5074 in Uncontrolled Hypertension and Moderate or Severe Chronic Kidney Disease (CKD)). Ocedurenone has a monoisotopic molecular weight of 503.21 Da.

CAS Number1359969-24-6
PubChem CID75593324
IUPAC Name4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidine-1-carbonyl)-3,3a,4,5-tetrahydropyrazolo[3,4-f]quinolin-2-yl]-2-chlorobenzonitrile
Molecular FormulaC28H30ClN5O2
Molecular Weight504.0
XLogP4.8
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity905
SMILES
C1CCC(C1)[C@H]2[C@H]3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=N4)C(=O)N6CCC(CC6)O
InChI
InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1
InChIKey
UXHQLGLGLZKHTC-CUNXSJBXSA-N
Chemical Structure
2D Structure
2D structure of Ocedurenone
CAS: 1359969-24-6
CID: 75593324
Formula: C28H30ClN5O2
MW: 504.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass503.2088029
Monoisotopic Mass503.2088029
Topological Polar Surface Area92.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity905
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T38768Ocedurenone

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