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Chemical structure of Cruzain-IN-1

GC30348

Cruzain-IN-1

Also known as 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile

Cruzain-IN-1 is a covalent and reversible Cruzain inhibitor, with an IC50 of 10 nM

ChemicalCAS1199523-24-4MW300.27FormulaC14H10F2N6
CAS number
1199523-24-4
Molecular weight
300.27
Formula
C14H10F2N6
Solubility
DMSO ： 80 mg/mL (266·43 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
SZYYBVWPURUFRR-UHFFFAOYSA-N
Catalogue number
GC30348
Brand
GLPBIO
Computed properties PubChem CID 44143088 · XLogP 2.5 · TPSA 79.4 Ų · H-bond donors 1
XLogP
2.5
TPSA
79.4 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22

SMILES CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F

Computed descriptors from PubChem (CID 44143088), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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