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Dazucorilant

CAT: 0013-GTR19189608-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189608-01Size:25 mg
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Description
Dazucorilant (CORT113176) is a potent and selective non-steroidal glucocorticoid receptor (GR) antagonist, with a sub-nanomolar binding affinity (Ki <1 nM) . It is a valuable research tool for studying GR-related mechanisms in neurological disorders, with utility demonstrated in both in vitro assays and in vivo preclinical models.
CAS Number
1496508-34-9
Field of Research
Metabolism Research
Smiles
Fc1ccc (cc1) -n1ncc2C[C@@]3 (CN (CCC3=Cc12) S (=O) (=O) c1ccc (cc1) C (F) (F) F) C (=O) c1ccccn1
Molecular Formula
C29H22F4N4O3S
Molecular Weight
582.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dazucorilant

a glucocorticoid receptor modulator; structure in first source

CAS Number1496508-34-9
PubChem CID72192163
IUPAC Name[(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
Molecular FormulaC29H22F4N4O3S
Molecular Weight582.6
XLogP4.6
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1110
SMILES
C1CN(C[C@@]2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)C(=O)C5=CC=CC=N5)S(=O)(=O)C6=CC=C(C=C6)C(F)(F)F
InChI
InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
InChIKey
VXOBXKQLNWYQPQ-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Dazucorilant
CAS: 1496508-34-9
CID: 72192163
Formula: C29H22F4N4O3S
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass582.13487440
Monoisotopic Mass582.13487440
Topological Polar Surface Area93.5 Ų
Heavy Atom Count41
Formal Charge0
Complexity1110
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
T38983Dazucorilant

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