Name: C82
Rating: 5 (10 reviews)

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HIT ID:HIT102767738
Cas No:
常用名:C82
IUPAC:2-{6-ethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(2-methoxyphenyl)acetamide
IUPAC:2-{6-ethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(2-methoxyphenyl)acetamide
InChI key:JHEASKMQXRYFDN-UHFFFAOYSA-N

分子式:C17H17N3O3S
分子量:343.4
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:1.36
SMILES:CCc1cc2c(ncn(CC(=O)Nc3ccccc3OC)c2=O)s1
SMILES:CCc1cc2c(ncn(CC(=O)Nc3ccccc3OC)c2=O)s1

C82 acts as an inhibitor of Mycobacterium tuberculosis (Mtb) cyclic dinucleotide phosphodiesterase (CdnP), with an IC50 value of 17.5 µM. This particular enzyme is responsible for breaking down cyclic di-AMP (c-di-AMP) into adenosine 5'-monophosphate (AMP). Notably, C82 demonstrates selectivity for Mtb CdnP over other bacterial cyclic dinucleotide phosphodiesterases (CDN PDEs) such as Yybt, RocR, and Group B Streptococcus (GBS) CdnP, as well as the mammalian CDN PDE ENPP1, and the viral CDN PDE poxin, showing effectiveness at a concentration of 200 µM.

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