Home Carboxys 5-[(3-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid

5-[(3-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid

CAS No.:
1009820-21-6
Catalog Number:
AG0003CJ
Molecular Formula:
C19H12ClN3O2
Molecular Weight:
349.7705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$225
- +
250mg
96%
In Stock USA
United States
$350
- +
1g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0003CJ
Chemical Name:
5-[(3-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CAS Number:
1009820-21-6
Molecular Formula:
C19H12ClN3O2
Molecular Weight:
349.7705
MDL Number:
MFCD13184796
IUPAC Name:
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
InChI:
InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChI Key:
MUOKSQABCJCOPU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O
UNII:
C6RWP0N0L2
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.062g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
349.774g/mol
Monoisotopic Mass:
349.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. Journal of medicinal chemistry 20121108
Combined inhibition of EGFR and CK2 augments the attenuation of PI3K-Akt-mTOR signaling and the killing of cancer cells. Cancer letters 20120901
Identification and validation of inhibitor-responsive kinase substrates using a new paradigm to measure kinase-specific protein phosphorylation index. Journal of proteome research 20120706
CK2 inhibitor CX-4945 suppresses DNA repair response triggered by DNA-targeted anticancer drugs and augments efficacy: mechanistic rationale for drug combination therapy. Molecular cancer therapeutics 20120401
Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds. Journal of medicinal chemistry 20120322
Synthesis and SAR of inhibitors of protein kinase CK2: novel tricyclic quinoline analogs. Bioorganic & medicinal chemistry letters 20120101
Antitumoral activity of allosteric inhibitors of protein kinase CK2. Oncotarget 20111201
7-(4H-1,2,4-Triazol-3-yl)benzo[c][2,6]naphthyridines: a novel class of Pim kinase inhibitors with potent cell antiproliferative activity. Bioorganic & medicinal chemistry letters 20111115
Protein kinase CK2 modulates IL-6 expression in inflammatory breast cancer. Biochemical and biophysical research communications 20111111
Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. Biochemistry 20111004
Pre-clinical characterization of CX-4945, a potent and selective small molecule inhibitor of CK2 for the treatment of cancer. Molecular and cellular biochemistry 20111001
Discovery and SAR of 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the treatment of cancer. Journal of medicinal chemistry 20110127
Structural basis of CX-4945 binding to human protein kinase CK2. FEBS letters 20110103
Structural determinants of CX-4945 derivatives as protein kinase CK2 inhibitors: a computational study. International journal of molecular sciences 20110101
CX-4945, an orally bioavailable selective inhibitor of protein kinase CK2, inhibits prosurvival and angiogenic signaling and exhibits antitumor efficacy. Cancer research 20101215
Properties