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STAT6-IN-5

CAT: 0013-GTR19234147-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234147-02Size:5 mg
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Description
STAT6-IN-5 (Example 84) is a potent STAT6 inhibitor with an IC50 of 0.24 μM. It is a valuable research tool for studying STAT6-dependent pathways in inflammation and allergy, applicable in both in vitro biochemical assays and in vivo models such as atopic dermatitis.
CAS Number
3033742-22-9
Field of Research
Cancer Biology, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.78% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (5.77 mM) ; DMSO:80 mg/mL (139.97 mM)
Smiles
O=C (NC1=NN=C (S1) C) C2=CC (=CC=3C=C (C4=CC=C (C=C4) N5C (=O) N (N=C5C) C) N (C32) CCOC) C (F) (F) F
Molecular Formula
C26H24F3N7O3S
Molecular Weight
571.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stat6-IN-5
CAS Number3033742-22-9
PubChem CID171714310
IUPAC Name2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)indole-7-carboxamide
Molecular FormulaC26H24F3N7O3S
Molecular Weight571.6
XLogP3.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity980
SMILES
CC1=NN(C(=O)N1C2=CC=C(C=C2)C3=CC4=CC(=CC(=C4N3CCOC)C(=O)NC5=NN=C(S5)C)C(F)(F)F)C
InChI
InChI=1S/C26H24F3N7O3S/c1-14-33-34(3)25(38)36(14)19-7-5-16(6-8-19)21-12-17-11-18(26(27,28)29)13-20(22(17)35(21)9-10-39-4)23(37)30-24-32-31-15(2)40-24/h5-8,11-13H,9-10H2,1-4H3,(H,30,32,37)
InChIKey
VFABOOWBMOMFOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stat6-IN-5
CAS: 3033742-22-9
CID: 171714310
Formula: C26H24F3N7O3S
MW: 571.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass571.16134331
Monoisotopic Mass571.16134331
Topological Polar Surface Area133 Ų
Heavy Atom Count40
Formal Charge0
Complexity980
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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