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Ocedurenone

CAT: 0931-T38768Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T38768Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1359969-24-6
Target
Others, Glucocorticoid Receptor
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
Ocedurenone, a corticosteroid receptor antagonist, is a compound utilized in the investigation of kidney disease (WO2018054357, compound I) .
Smiles
[H][C@]12CCc3nc(ccc3C1=NN([C@H]2C1CCCC1)c1ccc(C#N)c(Cl)c1)C(=O)N1CCC(O)CC1 |c:12|
Molecular Formula
C28H30ClN5O2
Molecular Weight
504.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19189718-01Ocedurenone

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