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SLU-10482

CAT: 0013-GTR19219837-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219837-02Size:5 mg
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Description
SLU-10482 is a potent antiparasitic small molecule that inhibits Cryptosporidium parvum proliferation in vitro (EC50 = 0.07 μM in HCT-8 cells) and reduces oocyst shedding in infected mice at 5-15 mg/kg BID. Its reduced hERG affinity (Kd = 43 μM) versus SLU-2633 suggests an improved cardiac safety profile for research into cryptosporidiosis therapeutics.
CAS Number
2755451-45-5
Field of Research
Infectious Disease & Virology
Smiles
FC (F) (F) C1=C (F) C=CC (CC (N2CCN (C3=NN4C (C=C3) =NN=C4) CC2) =O) =C1
Molecular Formula
C18H16F4N6O
Molecular Weight
408.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CAS Number2755451-45-5
PubChem CID162386816
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
Molecular FormulaC18H16F4N6O
Molecular Weight408.4
XLogP2
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity585
SMILES
C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
InChI
InChI=1S/C18H16F4N6O/c19-14-2-1-12(9-13(14)18(20,21)22)10-17(29)27-7-5-26(6-8-27)16-4-3-15-24-23-11-28(15)25-16/h1-4,9,11H,5-8,10H2
InChIKey
NIBRKSRYSFJILK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CAS: 2755451-45-5
CID: 162386816
Formula: C18H16F4N6O
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass408.13217180
Monoisotopic Mass408.13217180
Topological Polar Surface Area66.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity585
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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