Name: Manzamine A hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322204
Cas No:104264-80-4
常用名:Manzamine A hydrochloride
IUPAC:(1R,2R,4R,12R,13S,16Z,22S)-25-{9H-pyrido[3,4-b]indol-1-yl}-11,22-diazapentacyclo[11.11.2.1^{2,22}.0^{2,12}.0^{4,11}]heptacosa-5,16,25-trien-13-ol hydrochloride
IUPAC:(1R,2R,4R,12R,13S,16Z,22S)-25-{9H-pyrido[3,4-b]indol-1-yl}-11,22-diazapentacyclo[11.11.2.1^{2,22}.0^{2,12}.0^{4,11}]heptacosa-5,16,25-trien-13-ol hydrochloride
InChI key:DIVWQABXFSWTEF-MWNJAHNNSA-N

分子式:C36H45ClN4O
分子量:585.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[H][C@]12C[C@]34C[N@@]5CC[C@@]3([H])C(=C[C@@](O)(CC\C=C/CCCC5)[C@]4([H])N1CCCCC=C2)c1nccc2c3ccccc3[nH]c12 |w:30.32,c:11,17|
SMILES:Cl.[H][C@]12C[C@]34C[N@@]5CC[C@@]3([H])C(=C[C@@](O)(CC\C=C/CCCC5)[C@]4([H])N1CCCCC=C2)c1nccc2c3ccccc3[nH]c12 |w:30.32,c:11,17|

Manzamine A hydrochloride is an orally active beta-carboline alkaloid that exhibits specific inhibitory effects on GSK-3β (IC50 = 10.2 μM) and CDK-5 (IC50 = 1.5 μM). Additionally, it targets vacuolar ATPases, leading to the inhibition of autophagy in pancreatic cancer cells. Manzamine A hydrochloride possesses antimalarial and anticancer properties, and also demonstrates potent activity against HSV-1[4].

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