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Esaxerenone (CS-3150)

CAT: 1568-C01338-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C01338-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1632006-28-0
Target
Mineralocorticoid Receptor
Applications
Endocrinology & Hormones
Smiles
CC1=C ([N] (CCO) C=C1C (=O) NC2=CC=C (C=C2) [S] (C) (=O) =O) C3=CC=CC=C3C (F) (F) F
Molecular Formula
C22H21F3N2O4S
Additionnal Information
Esaxerenone (CS-3150), a selective nonsteroidal mineralocorticoid receptor (MR) antagonist, binds to mineralocorticoid receptor and inhibits (3) H-aldosterone binding to mineralocorticoid receptor with an IC50 value of 9.4 nM. Esaxerenone (CS-3150) also has the property of increasing the likelihood of albuminuria returning to normal levels and reducing progression of albuminuria to higher levels.
Storage Conditions
3 years -20°C powder

Chemical Information

Esaxerenone

Esaxerenone is under investigation in clinical trial NCT02722265 (Long-term Study of CS-3150 as Monotherapy or in Combination With Other Antihypertensive Drug in Japanese Patients With Essential Hypertension).

CAS Number1632006-28-0
PubChem CID25052023
IUPAC Name1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
Molecular FormulaC22H21F3N2O4S
Molecular Weight466.5
XLogP2.9
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity747
SMILES
CC1=C(N(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)CCO)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
InChIKey
NOSNHVJANRODGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Esaxerenone
CAS: 1632006-28-0
CID: 25052023
Formula: C22H21F3N2O4S
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass466.11741282
Monoisotopic Mass466.11741282
Topological Polar Surface Area96.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity747
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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A16925-5Esaxerenone 5mg
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A16925-10Esaxerenone 10mg

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