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AWZ1066S

CAT: 0804-HY-114415-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114415-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AWZ1066S is a highly potent, specific and orally active anti-Wolbachia agent with EC50 value of 121 nM. AWZ1066S also is a weak CYP2C9 inhibitor and a weak CYP3A4 inducer with IC50 values of 9.7 μM and 37 uM, respectively. AWZ1066S can be used for the research of tropical diseases such as Onchocerciasis (river blindness) and lymphatic filariasis (elephantiasis) [1].
CAS Number
2239272-16-1
UNSPSC
12352005
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/AWZ1066S.html
Purity
98.65
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
C[C@@H](COCC1)N1C2=NC3=C(C=CC=N3)C(NCC4=CC=CN=C4C(F)(F)F)=N2
Molecular Formula
C19H19F3N6O
Molecular Weight
404.39
References & Citations
[1]Hong WD, et al. AWZ1066S, a highly specific anti-Wolbachia drug candidate for a short-course treatment of filariasis. Proc Natl Acad Sci U S A. 2019 Jan 22;116 (4) :1414-1419.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine

Anti-Wolbachia Agent AWZ1066S is an orally bioavailable synthetic compond that is active against the bacterium Wolbachia and that can potentially be used to treat diseases caused by namatodes of the family Filariodidea, such as lymphatic filariasis and onchocerciasis. Upon oral administration, the anti-Wolbachia agent AWZ1066S specifically kills Wolbachia through an as of yet not fully identified mechanism of action (MoA). In filarial nematodes-infected humans, adult worms need Wolbachia in order to grow, reproduce, and survive. Targeting Wolbachia may indirectly kill the adult parasitic worms and prevent filariasis.

CAS Number2239272-16-1
PubChem CID135240137
IUPAC Name2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
Molecular FormulaC19H19F3N6O
Molecular Weight404.4
XLogP3
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity539
SMILES
C[C@H]1COCCN1C2=NC3=C(C=CC=N3)C(=N2)NCC4=C(N=CC=C4)C(F)(F)F
InChI
InChI=1S/C19H19F3N6O/c1-12-11-29-9-8-28(12)18-26-16-14(5-3-7-24-16)17(27-18)25-10-13-4-2-6-23-15(13)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,25,26,27)/t12-/m0/s1
InChIKey
IZFVCNUAPFSNCO-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CAS: 2239272-16-1
CID: 135240137
Formula: C19H19F3N6O
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass404.15724374
Monoisotopic Mass404.15724374
Topological Polar Surface Area76.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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