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DB-766

CAT: 0931-T31215-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31215-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
423165-22-4
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Bioactivity
DB-766 is a potential chemotherapeutic candidate for Chagas' disease treatment. DB-766 exhibits strong trypanocidal activity and excellent selectivity for bloodstream trypomastigotes and intracellular amastigotes (Y strain), giving IC (50) s of 60 and 25 nM, respectively. The trypanocidal efficacy of DB766, suggesting that this AIA may represent a new lead compound candidate to Chagas.
Smiles
O(C(C)C)C1=C(C=CC(NC(=N)C2=CC=CC=N2)=C1)C=3OC(=CC3)C4=C(OC(C)C)C=C(NC(=N)C5=CC=CC=N5)C=C4
Molecular Formula
C34H34N6O3
Molecular Weight
574.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DB-766
CAS Number423165-22-4
PubChem CID135530739
IUPAC NameN-[3-propan-2-yloxy-4-[5-[2-propan-2-yloxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide
Molecular FormulaC34H34N6O3
Molecular Weight574.7
XLogP6.2
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity831
SMILES
CC(C)OC1=C(C=CC(=C1)NC(=N)C2=CC=CC=N2)C3=CC=C(O3)C4=C(C=C(C=C4)NC(=N)C5=CC=CC=N5)OC(C)C
InChI
InChI=1S/C34H34N6O3/c1-21(2)41-31-19-23(39-33(35)27-9-5-7-17-37-27)11-13-25(31)29-15-16-30(43-29)26-14-12-24(20-32(26)42-22(3)4)40-34(36)28-10-6-8-18-38-28/h5-22H,1-4H3,(H2,35,39)(H2,36,40)
InChIKey
QCFKWNGTLZQXRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DB-766
CAS: 423165-22-4
CID: 135530739
Formula: C34H34N6O3
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP36.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass574.26923897
Monoisotopic Mass574.26923897
Topological Polar Surface Area129 Ų
Heavy Atom Count43
Formal Charge0
Complexity831
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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