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STAT6-IN-8

CAT: 0013-GTR19272694-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272694-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
STAT6-IN-8 is a highly selective STAT6 inhibitor (IC50=0.25 μM) that exerts potent anti-inflammatory and anti-allergic effects by blocking STAT6’s DNA-binding activity and its dimerization process. STAT6-IN-8 can be used in research on STAT6-related diseases such as atopic dermatitis, bronchial asthma, and allergic rhinitis.
CAS Number
3033741-50-0
Purity
99.71% (May vary between batches)
Smiles
O=C (N) C=1C=CC=C (NC (=O) C2=CC (=CC=3C=C (C4=CC=C (C=C4) N5C (=O) N (N=C5C) C) N (C32) CC) C (F) (F) F) C1F
Molecular Formula
C29H24N6O3F4
Molecular Weight
580.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-carbamoyl-2-fluoro-phenyl)-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-ethyl-5-(trifluoromethyl)indole-7-carboxamide
CAS Number3033741-50-0
PubChem CID174251527
IUPAC NameN-(3-carbamoyl-2-fluorophenyl)-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-ethyl-5-(trifluoromethyl)indole-7-carboxamide
Molecular FormulaC29H24F4N6O3
Molecular Weight580.5
XLogP3.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1080
SMILES
CCN1C(=CC2=CC(=CC(=C21)C(=O)NC3=CC=CC(=C3F)C(=O)N)C(F)(F)F)C4=CC=C(C=C4)N5C(=NN(C5=O)C)C
InChI
InChI=1S/C29H24F4N6O3/c1-4-38-23(16-8-10-19(11-9-16)39-15(2)36-37(3)28(39)42)13-17-12-18(29(31,32)33)14-21(25(17)38)27(41)35-22-7-5-6-20(24(22)30)26(34)40/h5-14H,4H2,1-3H3,(H2,34,40)(H,35,41)
InChIKey
FTMUCYMXONOBGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-carbamoyl-2-fluoro-phenyl)-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-ethyl-5-(trifluoromethyl)indole-7-carboxamide
CAS: 3033741-50-0
CID: 174251527
Formula: C29H24F4N6O3
MW: 580.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass580.18460130
Monoisotopic Mass580.18460130
Topological Polar Surface Area113 Ų
Heavy Atom Count42
Formal Charge0
Complexity1080
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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