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Chemical structure of Antitrypanosomal agent 1

GC39478

Antitrypanosomal agent 1

Also known as 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

Antitrypanosomal agent 1 is a potent and selective trypanothione reductase (TR) inhibitor with an IC50 of 3·3 μM

ChemicalCAS75144-12-6MW282.59FormulaC11H14Cl3NO
CAS number
75144-12-6
Molecular weight
282.59
Formula
C11H14Cl3NO
Solubility
DMSO： 25 mg/mL (88·47 mM); Water： 10 mg/mL (35·39 mM)
InChIKey
PRRKQCKNKRZOPV-UHFFFAOYSA-N
Catalogue number
GC39478
Brand
GLPBIO
Computed properties PubChem CID 2876896 · TPSA 20.3 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
20.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

SMILES CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl

Computed descriptors from PubChem (CID 2876896), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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