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C108297

CAT: 0931-T26935-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26935-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
864972-30-5
Target
Others, Glucocorticoid Receptor
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
C108297 is a glucocorticoid receptor modulator. C108297 prevents both diet-induced obesity and inflammation. C108297 decreased food and fructose intake and increased lipolysis in white adipose tissue (WAT) and free fatty acid levels in plasma, resulting in decreased fat cell size and increased fatty acid oxidation.
Smiles
C(OCCOC)[C@@]12C(=CC3=C(C1)C=NN3C4=CC=C(F)C=C4)CCN(S(=O)(=O)C5=CC=C(C(C)(C)C)C=C5)C2
Molecular Formula
C30H36FN3O4S
Molecular Weight
553.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
HY-125096-01C108297

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