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STAT6-IN-2

CAT: 0013-GTR19244346-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244346-02Size:1 g
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Description
STAT6-IN-2 (Comp R-84) is an inhibitor of STAT6. STAT6-IN-2 inhibits the secretion of chemokine eliciting eosinophil infiltration eotaxin-3. STAT6-IN-2 can be used for immune disease research.
CAS Number
1355594-85-2
Field of Research
Cancer Biology
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (212.96 mM; Ultrasonic)
Smiles
CN1C (C=2C=C (C (N[C@@H] (C (C) C) C) =O) N=C (C (NCCC3=CC=CC=N3) =O) C2) =CC=4C1=CC=CC4
Molecular Formula
C28H31N5O2
Molecular Weight
469.58
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Stat6-IN-2
CAS Number1355594-85-2
PubChem CID56950508
IUPAC Name6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
Molecular FormulaC28H31N5O2
Molecular Weight469.6
XLogP4.5
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity715
SMILES
C[C@H](C(C)C)NC(=O)C1=CC(=CC(=N1)C(=O)NCCC2=CC=CC=N2)C3=CC4=CC=CC=C4N3C
InChI
InChI=1S/C28H31N5O2/c1-18(2)19(3)31-28(35)24-16-21(26-17-20-9-5-6-11-25(20)33(26)4)15-23(32-24)27(34)30-14-12-22-10-7-8-13-29-22/h5-11,13,15-19H,12,14H2,1-4H3,(H,30,34)(H,31,35)/t19-/m1/s1
InChIKey
NQCIABFWMPKOJV-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Stat6-IN-2
CAS: 1355594-85-2
CID: 56950508
Formula: C28H31N5O2
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass469.24777525
Monoisotopic Mass469.24777525
Topological Polar Surface Area88.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity715
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

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