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Chemical structure of ATN-161 trifluoroacetate salt

GC33837

ATN-161 trifluoroacetate salt

Also listed as ATN-161 trifluoroacetate salt (ATN-161 TFA salt)

ATN-161 trifluoroacetate salt (ATN-161 TFA salt) is a novel integrin α5β1 antagonist, which inhibits angiogenesis and growth of liver metastases in a murine model

ChemicalCAS904763-27-5MW711.67FormulaC25H36F3N9O10S
CAS number
904763-27-5
Molecular weight
711.67
Formula
C25H36F3N9O10S
Solubility
DMSO ： 1 mg/mL (1·41 mM)
InChIKey
MCVJOWHOEOLJGI-LQCLSJOXSA-N
Catalogue number
GC33837
Brand
GLPBIO
Computed properties PubChem CID 92044380 · TPSA 310 Ų · H-bond donors 10 · H-bond acceptors 15
TPSA
310 Ų
H-bond donors
10
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
48

SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 92044380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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