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Mapracorat

CAT: 0804-HY-14864-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14864-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mapracorat is a novel non-steroidal selective glucocorticoid receptor agonist.
CAS Number
887375-26-0
Product Name Alternative
ZK-245186; BOL-303242X
UNSPSC
12352005
Hazard Statement
H361, H373
Target
Glucocorticoid Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation; Vitamin D Related/Nuclear Receptor
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/Mapracorat.html
Purity
99.40
Solubility
DMSO : ≥ 33.6 mg/mL
Smiles
CC(C)(C1=C(OCC2)C2=CC(F)=C1)C[C@@](O)(CNC3=C4C=CC(C)=NC4=CC=C3)C(F)(F)F
Molecular Formula
C25H26F4N2O2
Molecular Weight
462.48
Precautions
H361, H373
References & Citations
[1]Bäumer W , et al. The selective glucocorticoid receptor agonist mapracorat displays a favourable safety-efficacy ratio for the topical treatment of inflammatory skin diseases in dogs. Vet Dermatol. 2017 Feb; 28 (1) :46-e11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

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

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