Name: PMX-53
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212713365
Cas No:219639-75-5
常用名:PMX-53
别名:PMX53, PMX 53
IUPAC:(2S)-N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(1H-indol-3-yl)methyl]-1,4,7,10,16-pentaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclooctadecan-15-yl]-2-acetamido-3-phenylpropanamide
IUPAC:(2S)-N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(1H-indol-3-yl)methyl]-1,4,7,10,16-pentaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclooctadecan-15-yl]-2-acetamido-3-phenylpropanamide
InChI key:YOKBGCTZYPOSQM-HPSWDUTRSA-N

分子式:C47H65N11O7
分子量:896.107
氢键供体数 (HBD):10
氢键受体数 (HBA):10
LogP:3.171
SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

PMX-53 is a Mas-related gene 2 (MrgX2) agonist and C5aR(CD88) antagonist. PMX-53 reduces atherosclerotic lesions in a mouse model of atherosclerosis, inhibits lung metastasis in a mouse breast cancer model, inhibits C5a-induced hypernociception in rats.

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