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STAT6-IN-7

CAT: 0013-GTR19263413-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263413-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
STAT6-IN-7 (Compound 178) is a STAT6 inhibitor with an IC50 of 0.28 μM for inhibiting the binding of human STAT6/pIL-4Rα. It is utilized in research related to inflammation and allergic diseases.
CAS Number
3033743-58-4
Field of Research
Cancer Biology, Immunology & Inflammation, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1=NN (C=C1) C2CC2) C=3C=CC=C (C3) NC (=O) C4=CC (=CC=5C=C (C6=CC=C (C=C6) N7C (=O) N (N=C7C) C) N (C54) CCOC) C (F) (F) F
Molecular Formula
C36H33F3N8O4
Molecular Weight
698.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[(1-cyclopropylpyrazol-3-yl)carbamoyl]phenyl]-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-5-(trifluoromethyl)indole-7-carboxamide
CAS Number3033743-58-4
PubChem CID177746401
IUPAC NameN-[3-[(1-cyclopropylpyrazol-3-yl)carbamoyl]phenyl]-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-5-(trifluoromethyl)indole-7-carboxamide
Molecular FormulaC36H33F3N8O4
Molecular Weight698.7
XLogP4.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1320
SMILES
CC1=NN(C(=O)N1C2=CC=C(C=C2)C3=CC4=CC(=CC(=C4N3CCOC)C(=O)NC5=CC=CC(=C5)C(=O)NC6=NN(C=C6)C7CC7)C(F)(F)F)C
InChI
InChI=1S/C36H33F3N8O4/c1-21-42-44(2)35(50)47(21)28-9-7-22(8-10-28)30-19-24-17-25(36(37,38)39)20-29(32(24)45(30)15-16-51-3)34(49)40-26-6-4-5-23(18-26)33(48)41-31-13-14-46(43-31)27-11-12-27/h4-10,13-14,17-20,27H,11-12,15-16H2,1-3H3,(H,40,49)(H,41,43,48)
InChIKey
YMJVVYYLYVOYPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[(1-cyclopropylpyrazol-3-yl)carbamoyl]phenyl]-2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-5-(trifluoromethyl)indole-7-carboxamide
CAS: 3033743-58-4
CID: 177746401
Formula: C36H33F3N8O4
MW: 698.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight698.7
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass698.25768605
Monoisotopic Mass698.25768605
Topological Polar Surface Area126 Ų
Heavy Atom Count51
Formal Charge0
Complexity1320
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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