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UNC10201652

CAT: 0013-GTR19186519-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186519-03Size:100 mg
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Description
UNC10201652 is a potent and selective inhibitor of bacterial β-glucuronidase (GUS) enzymes, particularly from E. coli, with an IC50 of 0.117 μM. This small molecule is a valuable research tool for studying microbial metabolism of glucuronides in both cellular assays and animal models of drug-induced toxicity.
CAS Number
372495-52-8
Field of Research
Infectious Disease & Virology
Smiles
C=12C=3C (SC1N=C (C4=C2CCCC4) N5CCOCC5) =C (N=NN3) N6CCNCC6
Molecular Formula
C20H25N7OS
Molecular Weight
411.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Unc10201652
CAS Number372495-52-8
PubChem CID1071983
IUPAC Name4-(13-piperazin-1-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl)morpholine
Molecular FormulaC20H25N7OS
Molecular Weight411.5
XLogP2.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C1CCC2=C(C1)C3=C(N=C2N4CCOCC4)SC5=C3N=NN=C5N6CCNCC6
InChI
InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2
InChIKey
ZPVQONCMKZBGTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc10201652
CAS: 372495-52-8
CID: 1071983
Formula: C20H25N7OS
MW: 411.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass411.18412962
Monoisotopic Mass411.18412962
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
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

Alternative Products

CatalogName
BA1388-25UNC10201652

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