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Chemical structure of JA2131

GC75232

JA2131

Also known as 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

JA2131 is a small molecular inhibitor of Poly(ADP-ribose) Glycohydrolase (PARG) (IC50=0·4 μM)

ChemicalCAS6505-99-3MW341.45FormulaC13H19N5O2S2
CAS number
6505-99-3
Molecular weight
341.45
Formula
C13H19N5O2S2
Solubility
DMSO： 12·5 mg/mL (36·61 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XHNSOGDMSSHQFY-UHFFFAOYSA-N
Catalogue number
GC75232
Brand
GLPBIO
Computed properties PubChem CID 4361023 · XLogP 0.7 · TPSA 122 Ų · H-bond donors 1
XLogP
0.7
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCOCC3

Computed descriptors from PubChem (CID 4361023), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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