6505-99-3
6505-99-3
Chemical Structure
JA2131
- CAS No.: 6505-99-3
- Formula:C13H19N5O2S2
- Molecular Weight:341.45
IUPAC Name: 1,3-dimethyl-8-((2-morpholinoethyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
InChIKey: XHNSOGDMSSHQFY-UHFFFAOYSA-N
SMILES: O=C(N1C)N(C)C2=C(N=C(SCCN3CCOCC3)N2)C1=S
Biological Activity: JA2131 is a small molecular inhibitor of Poly(ADP-ribose) Glycohydrolase (PARG) (IC50=0.4 μM). JA2131 regulate DNA damage responses, causes replication fork stalling and cancer cell death[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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JA2131 | 99.7% | JA2131 is a small molecular inhibitor of Poly(ADP-ribose) Glycohydrolase (PARG) (IC50=0.4 μM). JA2131 regulate DNA damage responses, causes replication fork stalling and cancer cell death. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.59
HY-14895ARFabomotizole hydrochloride (Standard) -
Similarity Score 0.59
HY-14895BFabomotizole dihydrochloride -
Similarity Score 0.59
HY-14895Fabomotizole -
Similarity Score 0.54
HY-W0119558-Cyclopentyl-1,3-dimethylxanthine -
Similarity Score 0.54
HY-17391Pamabrom -
Similarity Score 0.54
HY-129599L-2286 -
Similarity Score 0.53
HY-139629ANAT inhibitor-1 -
Similarity Score 0.53
HY-131404TPBM -
Similarity Score 0.52
HY-B0004Doxofylline -
Explore the MedChemAI to find more analogs
References
- [1]. Houl JH, et al. Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun. 2019 Dec 11;10(1):5654. [Content Brief]
- [2]. Brosey CA, et al. Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog Biophys Mol Biol. 2021 Aug;163:171-186. [Content Brief]
