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Chemical structure of DGK-IN-1

GC65452

DGK-IN-1

Also known as 8-[(2S,5R)-4-[bis(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

DGK-IN-1 is a T cell activator extracted from patent WO2020006018A1, example 25

ChemicalCAS2407892-34-4MW532.46FormulaC29H27Cl2N5O
CAS number
2407892-34-4
Molecular weight
532.46
Formula
C29H27Cl2N5O
Solubility
DMSO ： 5 mg/mL (9·39 mM; ultrasonic and warming and heat to 60°C)
InChIKey
REURPYMYAHZMMX-RBUKOAKNSA-N
Catalogue number
GC65452
Brand
GLPBIO
Computed properties PubChem CID 146466342 · XLogP 5.5 · TPSA 63.5 Ų · H-bond donors 0
XLogP
5.5
TPSA
63.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
37

SMILES C[C@@H]1CN([C@H](CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C)C4=CC(=O)N(C5=C4N=C(C=C5)C#N)C

Computed descriptors from PubChem (CID 146466342), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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