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Chemical structure of Deltasonamide 1

GC68958

Deltasonamide 1

Also known as 4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-[[2-(methylamino)pyrimidin-4-yl]methyl]-1-N-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide

Deltasonamide 1 is a PDE6δ-KRas inhibitor· It can inhibit PDE6δ-KRas with a KD of 203 pM· Deltasonamide 1 can be used for research on tumors

ChemicalCAS2088485-33-8MW647.25FormulaC30H39ClN6O4S2
CAS number
2088485-33-8
Molecular weight
647.25
Formula
C30H39ClN6O4S2
Solubility
DMSO ： 66·67 mg/mL (103·01 mM; Need ultrasonic)
InChIKey
FWBBCSKXUXMTJY-UHFFFAOYSA-N
Catalogue number
GC68958
Brand
GLPBIO
Computed properties PubChem CID 124080849 · XLogP 4.1 · TPSA 141 Ų · H-bond donors 2
XLogP
4.1
TPSA
141 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
43

SMILES CNC1=NC=CC(=N1)CN(CC2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5

Computed descriptors from PubChem (CID 124080849), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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