Home Halogens 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one

5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one

CAS No.:
209410-46-8
Catalog Number:
AG002K7Y
Molecular Formula:
C19H9Cl2F2N3OS
Molecular Weight:
436.2621
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
10mg
98%
1 week
United States
$168
- +
50mg
98%
1 week
United States
$390
- +
Product Description
Catalog Number:
AG002K7Y
Chemical Name:
5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one
CAS Number:
209410-46-8
Molecular Formula:
C19H9Cl2F2N3OS
Molecular Weight:
436.2621
MDL Number:
MFCD09834070
IUPAC Name:
5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one
InChI:
InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
InChI Key:
VEPKQEUBKLEPRA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl
UNII:
TYL52QM320
Properties
Complexity:
762  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.981g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.258g/mol
Monoisotopic Mass:
434.981g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Neflamapimod: Clinical Phase 2b-Ready Oral Small Molecule Inhibitor of p38α to Reverse Synaptic Dysfunction in Early Alzheimer's Disease. The journal of prevention of Alzheimer's disease 20170101
Selective Brain-Targeted Antagonism of p38 MAPKα Reduces Hippocampal IL-1β Levels and Improves Morris Water Maze Performance in Aged Rats. Journal of Alzheimer's disease : JAD 20150101
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. Journal of medicinal chemistry 20120913
1,7-Naphthyridine 1-oxides as novel potent and selective inhibitors of p38 mitogen activated protein kinase. Journal of medicinal chemistry 20111124
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
The Discovery of VX-745: A Novel and Selective p38α Kinase Inhibitor. ACS medicinal chemistry letters 20111013
Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2. Journal of medicinal chemistry 20110714
Design, synthesis and activity of a potent, selective series of N-aryl pyridinone inhibitors of p38 kinase. Bioorganic & medicinal chemistry letters 20110701
Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. European journal of medicinal chemistry 20110601
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
Gram-scale synthesis of the p38α MAPK-inhibitor VX-745 for preclinical studies into Werner syndrome. Future medicinal chemistry 20100901
Selective p38alpha inhibitors clinically evaluated for the treatment of chronic inflammatory disorders. Journal of medicinal chemistry 20100325
Microwave-assisted Ullmann C-S bond formation: synthesis of the P38alpha MAPK clinical candidate VX-745. The Journal of organic chemistry 20091106
Inhibition of p38: has the fat lady sung? Arthritis and rheumatism 20090201
Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors. Bioorganic & medicinal chemistry letters 20080315
The design and synthesis of novel alpha-ketoamide-based p38 MAP kinase inhibitors. Bioorganic & medicinal chemistry letters 20080315
A quantitative analysis of kinase inhibitor selectivity. Nature biotechnology 20080101
A novel p38 alpha MAPK inhibitor suppresses brain proinflammatory cytokine up-regulation and attenuates synaptic dysfunction and behavioral deficits in an Alzheimer's disease mouse model. Journal of neuroinflammation 20070101
p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design. Bioorganic & medicinal chemistry letters 20061115
The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorganic & medicinal chemistry letters 20060815
p38 MAP kinase inhibitors. Part 3: SAR on 3,4-dihydropyrimido[4,5-d]pyrimidin-2-ones and 3,4-dihydropyrido[4,3-d]pyrimidin-2-ones. Bioorganic & medicinal chemistry letters 20060815
Small molecular anti-cytokine agents. Medicinal research reviews 20060101
A small molecule-kinase interaction map for clinical kinase inhibitors. Nature biotechnology 20050301
P38 MAP kinase inhibitors: evolution of imidazole-based and pyrido-pyrimidin-2-one lead classes. Current topics in medicinal chemistry 20050101
Synthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity. Journal of medicinal chemistry 20031218
Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity. Nature structural biology 20030901
Targeting p38 MAPK inhibits multiple myeloma cell growth in the bone marrow milieu. Blood 20030115
Properties