Home Other Building Blocks JNJ-7706621

JNJ-7706621

CAS No.:
443797-96-4
Catalog Number:
AG0037G8
Molecular Formula:
C15H12F2N6O3S
Molecular Weight:
394.3560
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
2mg
99%
1 week
United States
$154
- +
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$348
- +
50mg
99%
1 week
United States
$890
- +
100mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG0037G8
Chemical Name:
JNJ-7706621
CAS Number:
443797-96-4
Molecular Formula:
C15H12F2N6O3S
Molecular Weight:
394.3560
MDL Number:
MFCD11100270
IUPAC Name:
4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
InChI:
InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
InChI Key:
KDKUVYLMPJIGKA-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F
UNII:
74GK72DON8
Properties
Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.066g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
394.357g/mol
Monoisotopic Mass:
394.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS medicinal chemistry letters 20170608
ATP binding to the pseudokinase domain of JAK2 is critical for pathogenic activation. Proceedings of the National Academy of Sciences of the United States of America 20150414
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. The Biochemical journal 20130415
Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases. Current cancer drug targets 20120701
Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase. The Biochemical journal 20111115
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nature biotechnology 20111101
Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. European journal of medicinal chemistry 20110601
Diamino-1,2,4-triazole derivatives are selective inhibitors of TYK2 and JAK1 over JAK2 and JAK3. Bioorganic & medicinal chemistry letters 20101215
Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621. International journal of pharmaceutics 20100615
A quantitative analysis of kinase inhibitor selectivity. Nature biotechnology 20080101
Role of the ABCG2 drug transporter in the resistance and oral bioavailability of a potent cyclin-dependent kinase/Aurora kinase inhibitor. Molecular cancer therapeutics 20061001
1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities. Journal of medicinal chemistry 20050630
Properties