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YE6144

CAT: 0931-T62678-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T62678-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3065657-02-2
Target
Others, IFNAR
Related Pathways
Immunology/Inflammation, Others
Bioactivity
YE6144 is a prototype IRF5 inhibitor that selectively blocks IRF5 phosphorylation.YE6144 can also inhibit the production of type 1 IFNs (IC50 = 0.09μM) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19274937-01YE6144 free base

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