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Chemical structure of T·cruzi-IN-1

GC61950

T·cruzi-IN-1

Also known as N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

T·cruzi-IN-1 is a potent?Trypanosoma cruzi?inhibitor with an?IC50?of 8 nM· T·cruzi-IN-1, a 4-trifluoromethyl substituted analog, has the potential for both the acute and chronic stages of Chagas disease

ChemicalCAS1350920-22-7MW390.44FormulaC22H25F3N2O
CAS number
1350920-22-7
Molecular weight
390.44
Formula
C22H25F3N2O
Solubility
DMSO : 50 mg/mL (128·06 mM; ultrasonic and warming and heat to 60°C)
InChIKey
UYYRGUHHPKHWTR-UHFFFAOYSA-N
Catalogue number
GC61950
Brand
GLPBIO
Computed properties PubChem CID 46912157 · XLogP 4.1 · TPSA 23.6 Ų · H-bond donors 0
XLogP
4.1
TPSA
23.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

SMILES CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C(F)(F)F

Computed descriptors from PubChem (CID 46912157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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