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C108297

CAT: 0804-HY-125096-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125096-02Size:5 mg
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Description
C108297 is a selective glucocorticoid receptor (GR) modulator (GR binding Ki 0.7 nM; GR reporter gene functional Ki 0.6 nM) . C108297 attenuates obesity by reducing caloric intake and increasing lipolysis and fat oxidation, and in addition attenuates inflammation[1][2].
CAS Number
864972-30-5
UNSPSC
12352005
Target
Glucocorticoid Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/c108297.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COCCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(C4=CC=C(C=C4)C(C)(C)C)=O)N(N=C3)C5=CC=C(C=C5)F
Molecular Formula
C30H36FN3O4S
Molecular Weight
553.69
References & Citations
[1]Clark RD, et al. 1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as selective glucocorticoid receptor antagonists with high functional activity. Bioorg Med Chem Lett. 2008;18 (4) :1312-1317.|[2]van den Heuvel JK, et al. Identification of a selective glucocorticoid receptor modulator that prevents both diet-induced obesity and inflammation. Br J Pharmacol. 2016;173 (11) :1793-1804.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Number864972-30-5
PubChem CID25110774
IUPAC Name(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
Molecular FormulaC30H36FN3O4S
Molecular Weight553.7
XLogP4.7
Topological Polar Surface Area82
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity964
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)COCCOC)C=NN4C5=CC=C(C=C5)F
InChI
InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1
InChIKey
OMKDFVUMRKROMY-SSEXGKCCSA-N
Chemical Structure
2D Structure
2D structure of (4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS: 864972-30-5
CID: 25110774
Formula: C30H36FN3O4S
MW: 553.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.7
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass553.24105597
Monoisotopic Mass553.24105597
Topological Polar Surface Area82 Ų
Heavy Atom Count39
Formal Charge0
Complexity964
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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CatalogName
T26935-01C108297

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