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YE6144

CAT: 0013-GTR19185914-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185914-02Size:5 mg
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Description
YE6144 is a selective small molecule inhibitor of IRF5 phosphorylation and also potently suppresses type I interferon production (IC50 = 0.09 μM) . This compound is a valuable research tool for studying IRF5-driven inflammatory and autoimmune pathways in both cellular and animal models.
CAS Number
3065657-02-2
Product Name Alternative
YE 6144
Field of Research
Immunology & Inflammation
Solubility
DMSO:55 mg/mL (122.78 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:10 mg/mL (22.32 mM)
Smiles
C (=C/C1=CC=C (N=N1) N2CCOCC2) \C=3C=4C (=CC (F) =C (NC[C@H] (CC) N) C4) NN3.Cl
Molecular Formula
C21H27ClFN7O
Molecular Weight
447.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S,E)-N1-(6-Fluoro-3-(2-(6-morpholinopyridazin-3-yl)vinyl)-1H-indazol-5-yl)butane-1,2-diamine hydrochloride
CAS Number3065657-02-2
PubChem CID164946858
IUPAC Name(2S)-1-N-[6-fluoro-3-[(E)-2-(6-morpholin-4-ylpyridazin-3-yl)ethenyl]-1H-indazol-5-yl]butane-1,2-diamine;hydrochloride
Molecular FormulaC21H27ClFN7O
Molecular Weight447.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity561
SMILES
CC[C@@H](CNC1=C(C=C2C(=C1)C(=NN2)/C=C/C3=NN=C(C=C3)N4CCOCC4)F)N.Cl
InChI
InChI=1S/C21H26FN7O.ClH/c1-2-14(23)13-24-20-11-16-18(26-27-19(16)12-17(20)22)5-3-15-4-6-21(28-25-15)29-7-9-30-10-8-29;/h3-6,11-12,14,24H,2,7-10,13,23H2,1H3,(H,26,27);1H/b5-3+;/t14-;/m0./s1
InChIKey
NUNTVCPRDFANCY-ZOWAZICSSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-N1-(6-Fluoro-3-(2-(6-morpholinopyridazin-3-yl)vinyl)-1H-indazol-5-yl)butane-1,2-diamine hydrochloride
CAS: 3065657-02-2
CID: 164946858
Formula: C21H27ClFN7O
MW: 447.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass447.1949644
Monoisotopic Mass447.1949644
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5805358YE6144

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