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Win 45164

CAT: 0804-HY-171460Size: 1 EachDry Ice: NoHazardous: No
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Description
Win 45164 is an orally active glucocorticoid receptor (Glucocorticoid Receptor) ligand with the activity of inhibiting the pituitary - adrenal axis. It can promote liver glycogen deposition and thymus involution in adrenalectomized male rats. Meanwhile, Win 45164 has anti - inflammatory effects. It can be used in the research of inflammatory and neurological diseases[1].
CAS Number
83880-39-1
UNSPSC
12352005
Target
Glucocorticoid Receptor
Related Pathways
Immunology/Inflammation; Vitamin D Related/Nuclear Receptor
Field of Research
Inflammation/Immunology; Neurological Disease
Smiles
O=C(C1CC=C2C(C1C(C)=O)CCC3=CC4=C(CC32C)C=NN4C5=CC=C(C=C5)F)C
Molecular Formula
C26H27FN2O2
Molecular Weight
418.50
References & Citations
[1]Schane HP, et al. Glucocorticoid/antiinflammatory activities of nonsteroidal phenylpyrazoles in the rat. Steroids. 1985 Feb;45 (2) :171-85.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

78I8Qua66B
CAS Number83880-39-1
PubChem CID44340177
IUPAC Name1-[(4aR,11aS)-4-acetyl-8-(4-fluorophenyl)-11a-methyl-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-3-yl]ethanone
Molecular FormulaC26H27FN2O2
Molecular Weight418.5
XLogP3.4
Topological Polar Surface Area52
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity827
SMILES
CC(=O)C1CC=C2[C@@H](C1C(=O)C)CCC3=CC4=C(C[C@@]32C)C=NN4C5=CC=C(C=C5)F
InChI
InChI=1S/C26H27FN2O2/c1-15(30)21-10-11-23-22(25(21)16(2)31)9-4-18-12-24-17(13-26(18,23)3)14-28-29(24)20-7-5-19(27)6-8-20/h5-8,11-12,14,21-22,25H,4,9-10,13H2,1-3H3/t21?,22-,25?,26-/m0/s1
InChIKey
FMYJTJNSCOXCIK-YBBLHBAWSA-N
Chemical Structure
2D Structure
2D structure of 78I8Qua66B
CAS: 83880-39-1
CID: 44340177
Formula: C26H27FN2O2
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass418.20565627
Monoisotopic Mass418.20565627
Topological Polar Surface Area52 Ų
Heavy Atom Count31
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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