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Chemical structure of Deltasonamide 2 (TFA)

GC35837

Deltasonamide 2 (TFA)

Also known as 4-N-(4-aminocyclohexyl)-1-N-[(4-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide;2,2,2-trifluoroacetic acid

Deltasonamide 2 TFA is competitive, high affinity PDEδ inhibitor with a Kd of ~385 pM

ChemicalCAS2235358-74-2MW761.27FormulaC32H40ClF3N6O6S2
CAS number
2235358-74-2
Molecular weight
761.27
Formula
C32H40ClF3N6O6S2
Solubility
DMSO: 125 mg/mL (164·20 mM)
InChIKey
CPZRTOXQVYGULV-UHFFFAOYSA-N
Catalogue number
GC35837
Brand
GLPBIO
Computed properties PubChem CID 138454775 · TPSA 193 Ų · H-bond donors 3 · H-bond acceptors 15
TPSA
193 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
11
Heavy atoms
50

SMILES CNC1=NC=CC(=N1)CN(C2CCC(CC2)N)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 138454775), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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