Products for Research Use Only
RegisterLogin

BMS986126

CAT: 0013-GTR19209590-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19209590-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-986122 is a potent and selective IRAK4 inhibitor. It demonstrates therapeutic potential in lupus by attenuating disease in murine models and showing steroid-sparing activity, supported by its inhibition of TLR7/9-driven responses in cells from lupus patients in vitro.
CAS Number
1610017-20-3
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
Storage Conditions
-20°C
Notes
For research use only.

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

Related Products

CatalogName
GTR19166949-01BMS986187
GTR19156794-01BMS986260
GTR19155920-01BMS986188
GTR19166948-01BMS986188
GTR19165915-01BMS986260
GTR19155049-01BMS986187

Alternative Products

CatalogName
T70389-01BMS986126

Popular Products