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CS-3150

CAT: 1410-M12453-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M12453-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CS-3150 (Esaxerenone, XL-550) is a highly potent, selective and orally active non-steroidal mineralocorticoid receptor antagonist with IC50 of 9.4 nM.
CAS Number
1632006-28-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
466.475
Molecular Formula
C22H21F3N2O4S
Notes
Research use only, not for human use.
Receptor
MLR

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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