Products for Research Use Only

DB-766

CAT: 0013-GTR19194819-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194819-01Size:25 mg
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Description
DB-766 is a potent and selective small molecule candidate for Chagas disease research, demonstrating strong in vitro trypanocidal activity against Trypanosoma cruzi (Y strain) . It exhibits IC50 values of 60 nM for bloodstream trypomastigotes and 25 nM for intracellular amastigotes, highlighting its potential as a lead compound for antiparasitic drug development.
CAS Number
423165-22-4
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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