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1009820-21-6,MFCD13184796
Catalog No.:AA00039R
1009820-21-6 | 5-[(3-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
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100mg
96%
in stock  
$258.00   $180.00
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250mg
96%
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$445.00   $311.00
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1g
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$1,143.00   $800.00
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Technical Information
Catalog Number:
AA00039R
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
Computed 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  

Synonyms
 
5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid 
CX 4945 
CX 4945 
UNII-C6RWP0N0L2 
5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acid 
5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid 
C6RWP0N0L2 
Silmitasertib (CX-4945) 
CHEMBL1230165 
AK-82006 
5-((3-Chlorophenyl)amino)benzo-[c][2,6]naphthyridine-8-carboxylic acid 
5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-Carboxylic Acid 
CX-4945 
C19H12ClN3O2 
W-204393 
5-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid 
Silmitasertib [INN] 
3NG 
PubChem22588 
cx-4945-silmitasertib 
Silmitasertib; CX 4945 
CX-4945 (Silmitaserib) 
CX 4945 (Silmitasertib) 
CX4945 
CX-4945 - Silmitasertib 
SCHEMBL629082 
GTPL8126 
CTK8B6574 
KS-00000PRB 
AOB2757 
DTXSID40143602 
EX-A070 
QCR-248 
SYN1109 
1009820-21-6 
HMS3244M13 
HMS3244M14 
HMS3244N13 
HMS3655F16 
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid 
BCP02399 
ABP000327 
ANW-53685 
BDBM50335638 
MFCD13184796 
Silmitasertib 
RS0028 
s2248 
ZINC58638454 
AKOS005266722 
ACN-029586 
AN-1295 
BCP9000560 
CS-0563 
CX-4945/CX4945 
EX-8673 
CX-4945 
MP-1904 
SB17201 
NCGC00263192-01 
NCGC00263192-02 
4CA-1158 
AC-28426 
AS-16253 
BC638769 
HY-50855 
AB0033729 
5-((3-Chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid 
AJ-113170 
AX8226527 
DB-016103 
TC-142430 
FT-0723994 
ST24023701 
SW218157-2 
X7439 
A25034 
J-000296 
CX-4945 (Silmitasertib) 
J-516169 
CX-4945,CAS:1009820-21-6 
CX 4945,CX4945, 1009820-21-6 
5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic acid 
5-[(3-Chlorophenyl)amino]benzo[c]-2,6-naphthyridine-8-carboxylic acid 
Benzo[c]-2,6-naphthyridine-8-carboxylic acid, 5-[(3-chlorophenyl)amino]- 
CX-4945|||5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid 
CX-4945 Silmitasertib 
D09JEJ 
cc-639 
CX4945 
UNII-N1E607PU86 
RW4112 
A8330 
A11060 
C555142 
5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid 
Silmitasertib, 98%, a potent and selective ATP-competitive CK2 inhibitor - 25MG 25mg 
Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.

Journal: Journal of medicinal chemistry 20121108

Title: Combined inhibition of EGFR and CK2 augments the attenuation of PI3K-Akt-mTOR signaling and the killing of cancer cells.

Journal: Cancer letters 20120901

Title: Identification and validation of inhibitor-responsive kinase substrates using a new paradigm to measure kinase-specific protein phosphorylation index.

Journal: Journal of proteome research 20120706

Title: CK2 inhibitor CX-4945 suppresses DNA repair response triggered by DNA-targeted anticancer drugs and augments efficacy: mechanistic rationale for drug combination therapy.

Journal: Molecular cancer therapeutics 20120401

Title: Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds.

Journal: Journal of medicinal chemistry 20120322

Title: Synthesis and SAR of inhibitors of protein kinase CK2: novel tricyclic quinoline analogs.

Journal: Bioorganic & medicinal chemistry letters 20120101

Title: Antitumoral activity of allosteric inhibitors of protein kinase CK2.

Journal: Oncotarget 20111201

Title: 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.

Journal: Bioorganic & medicinal chemistry letters 20111115

Title: Protein kinase CK2 modulates IL-6 expression in inflammatory breast cancer.

Journal: Biochemical and biophysical research communications 20111111

Title: Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.

Journal: Biochemistry 20111004

Title: Pre-clinical characterization of CX-4945, a potent and selective small molecule inhibitor of CK2 for the treatment of cancer.

Journal: Molecular and cellular biochemistry 20111001

Title: 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: Journal of medicinal chemistry 20110127

Title: Structural basis of CX-4945 binding to human protein kinase CK2.

Journal: FEBS letters 20110103

Title: Structural determinants of CX-4945 derivatives as protein kinase CK2 inhibitors: a computational study.

Journal: International journal of molecular sciences 20110101

Title: CX-4945, an orally bioavailable selective inhibitor of protein kinase CK2, inhibits prosurvival and angiogenic signaling and exhibits antitumor efficacy.

Journal: Cancer research 20101215

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