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Transketolase-IN-4

CAT: 0013-GTR19212692-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212692-01Size:5 mg
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Description
Transketolase-IN-4 is a small molecule inhibitor of transketolase (IC50 = 3.9 μM) and Mycobacterium tuberculosis DXS (IC50 = 114.1 μM) . It demonstrates anti-proliferative activity against SW620, LS174T, and MIA PaCa-2 cancer cell lines in vitro, making it a useful research tool for studying metabolic pathways in oncology and infectious disease.
CAS Number
419547-73-2
Product Name Alternative
Mycobacterium tuberculosis, Bacterial
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.07% (May vary between batches)
Solubility
DMSO:112.5 mg/mL (335.03 mM)
Smiles
O=C1N2C (=C (C=N2) C3=CC=C (Cl) C=C3) NC (CC4=CC=CC=C4) =C1
Molecular Formula
C19H14ClN3O
Molecular Weight
335.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-benzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS Number419547-73-2
PubChem CID1281059
IUPAC Name5-benzyl-3-(4-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Molecular FormulaC19H14ClN3O
Molecular Weight335.8
XLogP3.8
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity596
SMILES
C1=CC=C(C=C1)CC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H14ClN3O/c20-15-8-6-14(7-9-15)17-12-21-23-18(24)11-16(22-19(17)23)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2
InChIKey
FIFAUXGBTKHTIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-benzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS: 419547-73-2
CID: 1281059
Formula: C19H14ClN3O
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass335.0825398
Monoisotopic Mass335.0825398
Topological Polar Surface Area44.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity596
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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