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KAI-407

CAT: 0804-HY-18746Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-18746Size:1 Each
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Description
KAI-407 is an orally active inhibitor of Plasmodium PI4K kinase, which can broadly inhibit multiple stages of the parasite lifecycle. KAI-407 exhibits EC50s of for the blood stage of malignant Plasmodium of 81 nM; for the liver schizonts of P. yoelii of 88 nM; and IC50s for the liver schizonts and dormant bodies of P. cynomolgi of 0.64 μM and 0.69 μM respectively. KAI-407 can prevent Plasmodium berghei infection 100%. KAI-407 can be used for the study of vivax malaria[1][2].
CAS Number
1513879-18-9
UNSPSC
12352005
Target
Parasite; PI4K
Related Pathways
Anti-infection; PI3K/Akt/mTOR
Field of Research
Infection
Smiles
O=C(C1=CN2C(C=N1)=NC=C2C3=CC=C(C(F)(F)F)C=C3)N(C4=CC=C(C#N)C=C4)C
Molecular Formula
C22H14F3N5O
Molecular Weight
421.37
References & Citations
[1]Zou B, et al. Lead optimization of imidazopyrazines: a new class of antimalarial with activity on Plasmodium liver stages. ACS Med Chem Lett. 2014 Jul 6;5 (8) :947-50. |[2]Zeeman AM, et al. KAI407, a potent non-8-aminoquinoline compound that kills Plasmodium cynomolgi early dormant liver stage parasites in vitro. Antimicrob Agents Chemother. 2014;58 (3) :1586-95.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CAS Number1513879-18-9
PubChem CID74767274
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
Molecular FormulaC22H14F3N5O
Molecular Weight421.4
XLogP4.3
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
CN(C1=CC=C(C=C1)C#N)C(=O)C2=CN3C(=CN=C3C=N2)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H14F3N5O/c1-29(17-8-2-14(10-26)3-9-17)21(31)18-13-30-19(11-28-20(30)12-27-18)15-4-6-16(7-5-15)22(23,24)25/h2-9,11-13H,1H3
InChIKey
XAZOWMVYGFASLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CAS: 1513879-18-9
CID: 74767274
Formula: C22H14F3N5O
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass421.11504457
Monoisotopic Mass421.11504457
Topological Polar Surface Area74.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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