Name: CM398
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214433872
Cas No:1121931-70-1
常用名:CM398
IUPAC:1-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC:1-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
InChI key:FKMMUKDTVNOKQD-UHFFFAOYSA-N

分子式:C23H29N3O3
分子量:395.503
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc2CCN(CCCCn3c4ccccc4n(C)c3=O)Cc2cc1OC
SMILES:COc1cc2CCN(CCCCn3c4ccccc4n(C)c3=O)Cc2cc1OC

CM398 is an orally active chemical compound that acts as a highly selective ligand for the sigma-2 receptor (K i =0.43 nM), demonstrating a significant ratio of selectivity between sigma-1 and sigma-2 receptors (1000-fold). Moreover, CM398 exhibits notable affinity towards dopamine (K i =32.90 nM) and serotonin transporters (K i =244.2 nM). In addition, CM398 has shown promising efficacy as an anti-inflammatory analgesic in a mouse model of inflammatory pain induced by formalin [1].

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