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RN486

CAT: 0804-HY-18018-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18018-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RN486 is a potent, selective and orally active Btk inhibitor with an IC50 of 4.0 nM and a Kd of 0.31 nM. RN486 is less active for other kinases. RN486 can be used for rheumatoid arthritis and systemic lupus erythematosus research[1][2][3].
CAS Number
1242156-23-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Btk
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/RN486.html
Purity
99.54
Solubility
DMSO : 24 mg/mL (ultrasonic; warming)
Smiles
O=C1C(NC2=CC=C(N3CCN(C)CC3)C=N2)=CC(C4=CC=CC(N5C=CC(C=C(C6CC6)C=C7F)=C7C5=O)=C4CO)=CN1C
Molecular Formula
C35H35FN6O3
Molecular Weight
606.69
Precautions
H302, H315, H319, H335
References & Citations
[1]Xu D, et al. RN486, a selective Bruton's tyrosine kinase inhibitor, abrogates immune hypersensitivity responses and arthritis in rodents. J Pharmacol Exp Ther. 2012 Apr;341 (1) :90-103.|[2]Hsu J, et al. Bruton's Tyrosine Kinase mediates platelet receptor-induced generation of microparticles: a potential mechanism for amplification of inflammatory responses in rheumatoid arthritis synovial joints. Immunol Lett. 2013 Feb;150 (1-2) :97-104.|[3]Mina-Osorio P, et al. Suppression of glomerulonephritis in lupus-prone NZB x NZW mice by RN486, a selective inhibitor of Bruton's tyrosine kinase. Arthritis Rheum. 2013 Sep;65 (9) :2380-91.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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

Alternative Products

CatalogName
A8636-25RN486
A12535-100RN486 100mg
A12535-5RN486 5mg
A12535-1RN486 1mg
A12535-50RN486 50mg
A12535-25RN486 25mg
A12535-10RN486 10mg
SC1144-10mMRN486 (BTK inhibitor)
A12535-10mM-DRN486 10mM * 1mL in DMSO

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