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GA32

CAT: 0931-T86483-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T86483-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1386811-71-7
Target
Glucocorticoid Receptor, Androgen Receptor
Related Pathways
Endocrinology/Hormones
Bioactivity
GA32 (compound 58r) is a potent androgen receptor (AR) /glucocorticoid receptor (GR) dual inhibitor with IC50 values of 0.13 μM and 0.83 μM for AR and GR, respectively. GA32 inhibits the proliferation of Enzalutamide-resistant, castration-resistant prostate cancer both in vitro and in vivo [1].
Smiles
S(=O)(=O)(N1C=2C(CCC1)=CC=CC2)C3=CC(C(NC4=CC=C(C#N)C=C4)=O)=CC=C3
Molecular Formula
C23H19N3O3S
Molecular Weight
417.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-cyanophenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CAS Number1386811-71-7
PubChem CID60409376
IUPAC NameN-(4-cyanophenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
Molecular FormulaC23H19N3O3S
Molecular Weight417.5
XLogP3.6
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity760
SMILES
C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C23H19N3O3S/c24-16-17-10-12-20(13-11-17)25-23(27)19-6-3-8-21(15-19)30(28,29)26-14-4-7-18-5-1-2-9-22(18)26/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,27)
InChIKey
QWPDOAPBJDUXDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-cyanophenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CAS: 1386811-71-7
CID: 60409376
Formula: C23H19N3O3S
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass417.11471265
Monoisotopic Mass417.11471265
Topological Polar Surface Area98.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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