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BMS986126

CAT: 0931-T70389-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70389-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1610017-20-3
Target
Others
Related Pathways
Others
Bioactivity
BMS-986122 is a IRAK4 Inhibitor. BMS-986126 attenuates Disease in Murine Lupus Models and Demonstrates Steroid Sparing Activity. BMS-986126 inhibited TLR7- and TLR9-dependent responses using cells derived from lupus patients, suggesting that inhibition of IRAK4 has the potential for therapeutic benefit in treating lupus.
Smiles
N(C=1C(C(NC[C@H](C(C)(C)O)F)=O)=CN=C(NC2=NC3=C(C=C2)C=NC=C3)C1)C4CC4
Molecular Formula
C22H25FN6O2
Molecular Weight
424.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
CAS Number1610017-20-3
PubChem CID90155093
IUPAC Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
Molecular FormulaC22H25FN6O2
Molecular Weight424.5
XLogP3
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity619
SMILES
CC(C)([C@@H](CNC(=O)C1=CN=C(C=C1NC2CC2)NC3=NC4=C(C=C3)C=NC=C4)F)O
InChI
InChI=1S/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/m1/s1
InChIKey
PXAWSYHMHMFXBD-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
CAS: 1610017-20-3
CID: 90155093
Formula: C22H25FN6O2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass424.20230222
Monoisotopic Mass424.20230222
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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