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GR–14-3-3 stabilizer-1

CAT: 0804-HY-169905-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169905-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GR-14-3-3 stabilizer-1 (compound 10) is a molecular glue stabilizer that can be used to prepare molecular glues targeting glucocorticoids (GR) and block the interaction between GR and 14-3-3[1].
CAS Number
271798-59-5
UNSPSC
12352005
Target
Molecular Glues
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others
Purity
99.61
Solubility
DMSO : 71.43 mg/mL (ultrasonic)
Smiles
O=C1NN=C(CSC2=CC=C(C=C2)Cl)N1C3=CC=CC=C3
Molecular Formula
C15H12ClN3OS
Molecular Weight
317.79
References & Citations
[1]Perry M, et al. Rational discovery of molecular glues for the glucocorticoid receptor–14-3-3 protein-protein interaction starting with application of traditional hit-finding methods[J]. 2024.
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

5-(((4-chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Number271798-59-5
PubChem CID2824787
IUPAC Name3-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazol-5-one
Molecular FormulaC15H12ClN3OS
Molecular Weight317.8
XLogP3.8
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity404
SMILES
C1=CC=C(C=C1)N2C(=NNC2=O)CSC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3OS/c16-11-6-8-13(9-7-11)21-10-14-17-18-15(20)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,20)
InChIKey
XZAALUVKVHHSCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(((4-chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS: 271798-59-5
CID: 2824787
Formula: C15H12ClN3OS
MW: 317.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass317.0389609
Monoisotopic Mass317.0389609
Topological Polar Surface Area70 Ų
Heavy Atom Count21
Formal Charge0
Complexity404
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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Alternative Products

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GTR19230308-0114-3-3σ/ERα stabilizer-1
MBS582139714-3-3sigma/ERalpha stabilizer-1
GTR19275066-0114-3-3σ/ERα stabilizer-2
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TRC-C398330-750MG3-(Chloromethyl)styrene (~0.1% TBC stabilizer)
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GTR19250160-01ChREBPα/14-3-3 regulator-1
sc-166061Pan 14-3-3 (F-1)

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