Products for Research Use Only

ML251

CAT: 0013-GTR19184398-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184398-01Size:1 mg
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Description
ML251 is a novel, nanomolar-range inhibitor targeting phosphofructokinase in Trypanosoma brucei (IC50=0.37 μM) and Trypanosoma cruzi (IC50=0.13 μM) . This compound is a valuable research tool for studying parasite metabolism and glycolysis in both in vitro and in vivo experimental models of trypanosomiasis.
CAS Number
1486482-16-9
Product Name Alternative
Cruzi, brucei, inhibit, MRC-5, Parasite, nanomolar, ML251, ML-251, ML 251, Inhibitor, PFK
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.79% (May vary between batches)
Solubility
DMSO:50 mg/mL (117.3 mM) ;10% DMSO+90% Corn Oil:2.5 mg/mL (5.86 mM)
Smiles
Clc1ccc (CC (=O) Nc2ccc (cc2) S (=O) (=O) Nc2ccon2) cc1Cl
Molecular Formula
C17H13Cl2N3O4S
Molecular Weight
426.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3,4-Dichlorophenyl)-N-(4-(N-(isoxazol-3-yl)sulfamoyl)phenyl)acetamide
CAS Number1486482-16-9
PubChem CID53255421
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
Molecular FormulaC17H13Cl2N3O4S
Molecular Weight426.3
XLogP3.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity608
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=NOC=C3
InChI
InChI=1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKey
AIDVIFPYWYKRCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorophenyl)-N-(4-(N-(isoxazol-3-yl)sulfamoyl)phenyl)acetamide
CAS: 1486482-16-9
CID: 53255421
Formula: C17H13Cl2N3O4S
MW: 426.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight426.3
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass425.0003825
Monoisotopic Mass425.0003825
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity608
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