Name: αA-Conotoxin PIVA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851793
Cas No:171439-59-1
常用名:αA-Conotoxin PIVA
IUPAC:2-[(1R,4S,6R,10S,13R,16S,19S,22S,25S,27R,31S,34S,40R,43R,48R,51S,54S,57S,61R,63S,66S,69S,72R,79S)-51-(4-aminobutyl)-43-(2-aminoacetamido)-57-(3-carbamimidamidopropyl)-22-(carbamoylmethyl)-72-[({[(1S)-1,3-dicarbamoylpropyl]carbamoyl}methyl)carbamoyl]-6,27,61-trihydroxy-34,66,79-tris(hydroxymethyl)-31,69-bis[(4-hydroxyphenyl)methyl]-10-[(1H-imidazol-5-yl)methyl]-16,19-dimethyl-3,9,12,15,18,21,24,30,33,36,39,42,49,52,55,58,64,67,70,77,80-henicosaoxo-45,46,74,75,83,84-hexathia-2,8,11,14,17,20,23,29,32,35,38,41,50,53,56,59,65,68,71,78,81-henicosaazahexacyclo[46.28.5.4^{13,40}.0^{4,8}.0^{25,29}.0^{59,63}]pentaoctacontan-54-yl]acetic acid
IUPAC:2-[(1R,4S,6R,10S,13R,16S,19S,22S,25S,27R,31S,34S,40R,43R,48R,51S,54S,57S,61R,63S,66S,69S,72R,79S)-51-(4-aminobutyl)-43-(2-aminoacetamido)-57-(3-carbamimidamidopropyl)-22-(carbamoylmethyl)-72-[({[(1S)-1,3-dicarbamoylpropyl]carbamoyl}methyl)carbamoyl]-6,27,61-trihydroxy-34,66,79-tris(hydroxymethyl)-31,69-bis[(4-hydroxyphenyl)methyl]-10-[(1H-imidazol-5-yl)methyl]-16,19-dimethyl-3,9,12,15,18,21,24,30,33,36,39,42,49,52,55,58,64,67,70,77,80-henicosaoxo-45,46,74,75,83,84-hexathia-2,8,11,14,17,20,23,29,32,35,38,41,50,53,56,59,65,68,71,78,81-henicosaazahexacyclo[46.28.5.4^{13,40}.0^{4,8}.0^{25,29}.0^{59,63}]pentaoctacontan-54-yl]acetic acid
InChI key:DOPUSZRLSBMMTD-JFYHOASHSA-N

分子式:C103H150N34O37S6
分子量:2648.89
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]4([H])C[C@@H](O)CN4C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)CNC3=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N1
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]4([H])C[C@@H](O)CN4C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)CNC3=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N1

αA-Conotoxin PIVA是选择性针对小鼠肌肉nAChR的抑制剂，对成年和胎儿型小鼠肌肉nAChR的IC50分别为2.3 nM及22 nM。该化合物可应用于神经系统疾病研究领域。

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