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Rn486

CAS No.:
1242156-23-5
Catalog Number:
AG009CEM
Molecular Formula:
C35H35FN6O3
Molecular Weight:
606.6892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$153
- +
5mg
99%
1 week
United States
$273
- +
10mg
99%
1 week
United States
$357
- +
25mg
99%
1 week
United States
$657
- +
50mg
99%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG009CEM
Chemical Name:
Rn486
CAS Number:
1242156-23-5
Molecular Formula:
C35H35FN6O3
Molecular Weight:
606.6892
MDL Number:
MFCD24682729
IUPAC Name:
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
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)
InChI Key:
ZTUJNJAKTLHBEX-UHFFFAOYSA-N
SMILES:
OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C
Properties
Complexity:
1210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
606.275g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
606.702g/mol
Monoisotopic Mass:
606.275g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Bruton's tyrosine kinase inhibitors: approaches to potent and selective inhibition, preclinical and clinical evaluation for inflammatory diseases and B cell malignancies. Journal of medicinal chemistry 20120524
RN486, a selective Bruton's tyrosine kinase inhibitor, abrogates immune hypersensitivity responses and arthritis in rodents. The Journal of pharmacology and experimental therapeutics 20120401
Potent and selective inhibitors of Akt kinases slow the progress of tumors in vivo. Molecular cancer therapeutics 20050601
Properties