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STAT6-IN-4

CAT: 0013-GTR19233876-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233876-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
STAT6-IN-4 (Compound 78) is a potent STAT6 inhibitor with an IC50 of 0.34 μM. This small molecule is a valuable research tool for investigating the role of STAT6 signaling in inflammatory and allergic disease models, both in vitro and in vivo.
CAS Number
3033742-14-9
Field of Research
Cancer Biology, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.96% (May vary between batches)
Solubility
DMSO:80 mg/mL (137.8 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (5.68 mM)
Smiles
O=C (NC1=NC (OC) =CC=C1) 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
C29H27F3N6O4
Molecular Weight
580.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stat6-IN-4
CAS Number3033742-14-9
PubChem CID171714309
IUPAC Name2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)indole-7-carboxamide
Molecular FormulaC29H27F3N6O4
Molecular Weight580.6
XLogP3.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CC1=NN(C(=O)N1C2=CC=C(C=C2)C3=CC4=CC(=CC(=C4N3CCOC)C(=O)NC5=NC(=CC=C5)OC)C(F)(F)F)C
InChI
InChI=1S/C29H27F3N6O4/c1-17-35-36(2)28(40)38(17)21-10-8-18(9-11-21)23-15-19-14-20(29(30,31)32)16-22(26(19)37(23)12-13-41-3)27(39)34-24-6-5-7-25(33-24)42-4/h5-11,14-16H,12-13H2,1-4H3,(H,33,34,39)
InChIKey
TVHJSRZCIRYGQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stat6-IN-4
CAS: 3033742-14-9
CID: 171714309
Formula: C29H27F3N6O4
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.6
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass580.20458785
Monoisotopic Mass580.20458785
Topological Polar Surface Area101 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
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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T88334-01STAT6-IN-4
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