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1314883-11-8

1314883-11-8 | MMV-390048

CAS No: 1314883-11-8 Catalog No: AG01FKZ6 MDL No:

Product Description

Catalog Number:
AG01FKZ6
Chemical Name:
MMV-390048
CAS Number:
1314883-11-8
IUPAC Name:
5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
InChI:
InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChI Key:
RTJQABCNNLMCJF-UHFFFAOYSA-N
UNII:
0Z5T00JJ10

Properties

Complexity:
600  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.076g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.384g/mol
Monoisotopic Mass:
393.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Antimalarial efficacy of MMV390048, an inhibitor of Plasmodium phosphatidylinositol 4-kinase. Science translational medicine 20170426
Quinoline-pyrimidine hybrids: synthesis, antiplasmodial activity, SAR, and mode of action studies. Journal of medicinal chemistry 20140123
Cell-based medicinal chemistry optimization of high throughput screening hits for orally active antimalarials. Part 2: hits from SoftFocus kinase and other libraries. Journal of medicinal chemistry 20131024
Synthesis of 4-aminoquinoline-pyrimidine hybrids as potent antimalarials and their mode of action studies. European journal of medicinal chemistry 20130801

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