Name: α-Conotoxin MrIC
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851788
Cas No:1417816-41-1
常用名:α-Conotoxin MrIC
IUPAC:(4S)-4-{[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-6-carbamoyl-21-(carbamoylmethyl)-12-(2-carboxyethyl)-48-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-30,45-bis[(1H-imidazol-5-yl)methyl]-36-methyl-9-(2-methylpropyl)-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-27-(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecaazatetracyclo[31.17.7.0^{15,19}.0^{39,43}]heptapentacontan-53-yl]carbamoyl}-4-{[(2S)-pyrrolidin-2-yl]formamido}butanoic acid
IUPAC:(4S)-4-{[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-6-carbamoyl-21-(carbamoylmethyl)-12-(2-carboxyethyl)-48-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-30,45-bis[(1H-imidazol-5-yl)methyl]-36-methyl-9-(2-methylpropyl)-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-27-(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecaazatetracyclo[31.17.7.0^{15,19}.0^{39,43}]heptapentacontan-53-yl]carbamoyl}-4-{[(2S)-pyrrolidin-2-yl]formamido}butanoic acid
InChI key:IRVDDJPUQNVQGL-OWTMMECFSA-N

分子式:C74H111N23O24S4
分子量:1835.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(C)C)C(N)=O)[C@@H](C)O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(C)C)C(N)=O)[C@@H](C)O

α-Conotoxin MrIC为特异性α7nAChR偏向激动剂，仅针对II型正变构调节剂（例如PNU120596）调控的α7nAChR产生激活作用。该化合物适用于神经系统疾病研究，以及α7nAChR药理特性的探测。

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