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Mapracorat

CAT: 1410-M16416-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mapracorat (ZK 245186) is a potent, selective and non-steroid glucocorticoid receptor (GR) agonist with binding Ki of 1.9 nM.
CAS Number
887375-26-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
462.489
Molecular Formula
C25H26F4N2O2
Notes
Research use only, not for human use.
Receptor
GR

Chemical Information

Mapracorat

Mapracorat is an aminoquinoline.

CAS Number887375-26-0
PubChem CID24795088
IUPAC Name(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
Molecular FormulaC25H26F4N2O2
Molecular Weight462.5
XLogP6.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity675
SMILES
CC1=NC2=C(C=C1)C(=CC=C2)NC[C@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O
InChI
InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1
InChIKey
VJGFOYBQOIPQFY-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Mapracorat
CAS: 887375-26-0
CID: 24795088
Formula: C25H26F4N2O2
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass462.19304072
Monoisotopic Mass462.19304072
Topological Polar Surface Area54.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity675
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

Alternative Products

CatalogName
T13451L-01Mapracorat
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A21953-50Mapracorat 50mg
A21953-5Mapracorat 5mg
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A21953-100Mapracorat 100mg
A21953-10Mapracorat 10mg
A21528-100(S) -Mapracorat 100mg
A21528-25(S) -Mapracorat 25mg
A21528-10(S) -Mapracorat 10mg

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