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KBD4466

CAT: 0931-T211376-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211376-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3023713-87-0
Target
TLR, Interleukin, IFNAR
Related Pathways
Immunology/Inflammation
Bioactivity
KBD4466 is a potent oral inhibitor of TLR7 and TLR8, with IC50 values of 0.9 nM and 2.8 nM, respectively. This compound effectively suppresses the inflammatory cytokines IL-6 and IFN-α. KBD4466 has shown to improve disease progression and increase survival rates in the BXSB/MpJ mouse model of systemic lupus erythematosus (SLE) . It is suitable for research into autoimmune diseases.
Smiles
C(F)(F)(F)[C@@]12[C@@](C1)(CN(C2)C=3C4=C(C(C#N)=CC3)N=CC=C4)C=5OC(=NN5)C6CCN(C)CC6
Molecular Formula
C24H23F3N6O
Molecular Weight
468.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[(1S,5R)-1-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CAS Number3023713-87-0
PubChem CID170436097
IUPAC Name5-[(1S,5R)-1-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
Molecular FormulaC24H23F3N6O
Molecular Weight468.5
XLogP3.4
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity840
SMILES
CN1CCC(CC1)C2=NN=C(O2)[C@@]34C[C@@]3(CN(C4)C5=C6C=CC=NC6=C(C=C5)C#N)C(F)(F)F
InChI
InChI=1S/C24H23F3N6O/c1-32-9-6-15(7-10-32)20-30-31-21(34-20)22-12-23(22,24(25,26)27)14-33(13-22)18-5-4-16(11-28)19-17(18)3-2-8-29-19/h2-5,8,15H,6-7,9-10,12-14H2,1H3/t22-,23-/m0/s1
InChIKey
XGERGOZPFHOLSD-GOTSBHOMSA-N
Chemical Structure
2D Structure
2D structure of 5-[(1S,5R)-1-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CAS: 3023713-87-0
CID: 170436097
Formula: C24H23F3N6O
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass468.18854386
Monoisotopic Mass468.18854386
Topological Polar Surface Area82.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity840
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-176553KBD4466

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