Name: Akuammidine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886514
Cas No:639-36-1
常用名:Akuammidine
IUPAC:methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraene-13-carboxylate
IUPAC:methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraene-13-carboxylate
InChI key:RCEFXZXHYFOPIE-GJZACXSBSA-N

分子式:C21H24N2O3
分子量:352.434
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)[C@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1\C(CN23)=C/C |TLB:2:4:8.9.10:23,5:4:8.9.10:23,THB:11:10:4.19.20:23,17:9:4.19.20:23,21:20:8.9.10:23,22:23:8.9.10:4.19.20|
SMILES:COC(=O)[C@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1\C(CN23)=C/C |TLB:2:4:8.9.10:23,5:4:8.9.10:23,THB:11:10:4.19.20:23,17:9:4.19.20:23,21:20:8.9.10:23,22:23:8.9.10:4.19.20|

Akuammidine shows anti-inflammatory and anti-asthmatic properties, it has opioid analgesic activity, it shows a preference for mu-opioid binding sites with Ki values of 0.6, 2.4 and 8.6 microM at mu-, delta- and kappa-opioid binding sites, respectively.

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