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RN-486

CAT: 0013-GTR19164192-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164192-01Size:200 mg
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Description
A potent and selective BTK inhibitor with IC50 of 4 nM in the enzymatic assay; shows high selectivity against a panel of 369 kinases; blocks Fcε receptor cross-linking-induced degranulation in mast cells (IC50=2.9 nM) and Fcγ receptor engagement-mediated TNFα production in monocytes (IC50=7.0 nM) ; robust anti-inflammatory and bone-protective effects in mouse CIA and rat adjuvant-induced arthritis (AIA) models.Rheumatoid Arthritis Preclinical (In Vitro) :RN486 blocks Fcε receptor cross-linking-induced degranulation in mast cells (IC50 = 2.9 nM), Fcγ receptor engagement-mediated tumor necrosis factor α production in monocytes (IC50 = 7 nM), and B cell antigen receptor-induced expression of an activation marker, CD69, in B cells in whole blood (IC50 = 21 nM) .In a co-culture system consisting of human primary synovial FLS and activated human platelets, convulxin stimulation resulted in elevated production of pro-inflammatory cytokines, IL-6 and IL-8, an effect which is dose-dependently blocked by RN486. (In Vivo) :RN486 produces robust anti-inflammatory and bone-protective effects in mouse CIA and rat adjuvant-induced arthritis (AIA) models. In the AIA model, RN486 (1-30 mg/kg) inhibits both joint and systemic inflammation, reducing both paw swelling and inflammatory markers in the blood.
CAS Number
1242156-23-5
Product Name Alternative
RN 486 | RN486
Purity
>98% (HPLC)
Solubility
DMSO: 24 mg/mL
Smiles
CN1CCN (CC1) C1=CN=C (NC2=CC (=CN (C) C2=O) C2=C (CO) C (=CC=C2) N2C=CC3=CC (=CC (F) =C3C2=O) C2CC2) C=C1
Molecular Formula
C35H35FN6O3
Molecular Weight
606.6892
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1 (2H) -Isoquinolinone, 6-cyclopropyl-2-[3-[1,6-dihydro-1-methyl-5-[[5- (4-methyl-1-piperazinyl) -2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2- (hydroxymethyl) phenyl]-8-fluoro-

Chemical Information

RN486

a selective Bruton's tyrosine kinase inhibitor

CAS Number1242156-23-5
PubChem CID46908026
IUPAC Name6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]isoquinolin-1-one
Molecular FormulaC35H35FN6O3
Molecular Weight606.7
XLogP3.8
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1210
SMILES
CN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)N5C=CC6=CC(=CC(=C6C5=O)F)C7CC7)CO
InChI
InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)
InChIKey
ZTUJNJAKTLHBEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RN486
CAS: 1242156-23-5
CID: 46908026
Formula: C35H35FN6O3
MW: 606.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.7
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass606.27546716
Monoisotopic Mass606.27546716
Topological Polar Surface Area92.3 Ų
Heavy Atom Count45
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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