Name: Hainantoxin-III
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851645
Cas No:1809149-40-3
常用名:Hainantoxin-III
IUPAC:3-[(4S,10S,16S,19S,22S,25R,30R,33S,36S,39S,42S,45S,48S,51R,54S,57S,60S,63S,69R,74R,77S,83S,89S,92S)-30-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-16,36,42,77-tetrakis(4-aminobutyl)-74-(2-aminoacetamido)-83-benzyl-19,60-bis(carbamoylmethyl)-89-(carboxymethyl)-4-[(1R)-1-hydroxyethyl]-45,48,92-tris(hydroxymethyl)-57-[(4-hydroxyphenyl)methyl]-39-[(1H-imidazol-5-yl)methyl]-33-[(1H-indol-3-yl)methyl]-54-methyl-2,5,11,14,17,20,23,32,35,38,41,44,47,50,53,56,59,62,68,75,78,81,84,87,90,93,100-heptacosaoxo-27,28,71,72,96,97-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,46,49,52,55,58,61,67,76,79,82,85,88,91,94,99-heptacosaazapentacyclo[49.43.4.2^{25,69}.0^{6,10}.0^{63,67}]100n-22-yl]propanoic acid
IUPAC:3-[(4S,10S,16S,19S,22S,25R,30R,33S,36S,39S,42S,45S,48S,51R,54S,57S,60S,63S,69R,74R,77S,83S,89S,92S)-30-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-16,36,42,77-tetrakis(4-aminobutyl)-74-(2-aminoacetamido)-83-benzyl-19,60-bis(carbamoylmethyl)-89-(carboxymethyl)-4-[(1R)-1-hydroxyethyl]-45,48,92-tris(hydroxymethyl)-57-[(4-hydroxyphenyl)methyl]-39-[(1H-imidazol-5-yl)methyl]-33-[(1H-indol-3-yl)methyl]-54-methyl-2,5,11,14,17,20,23,32,35,38,41,44,47,50,53,56,59,62,68,75,78,81,84,87,90,93,100-heptacosaoxo-27,28,71,72,96,97-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,46,49,52,55,58,61,67,76,79,82,85,88,91,94,99-heptacosaazapentacyclo[49.43.4.2^{25,69}.0^{6,10}.0^{63,67}]100n-22-yl]propanoic acid
InChI key:NNPPVZPYYFQCRE-MBANOKAHSA-N

分子式:C154H228N44O45S6
分子量:3608.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)C1([H])CSSC[C@]3([H])NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]4([H])CCCN4C(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC2=O)[C@@H](C)O
SMILES:[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)C1([H])CSSC[C@]3([H])NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]4([H])CCCN4C(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC2=O)[C@@H](C)O

Jingzhaotoxin-V是一种多肽，具有抑制作用，IC50值为604.2 nM，可显著抑制非洲爪蟾卵母细胞的钾电流。此外，Jingzhaotoxin-V对大鼠背根神经节神经元中的河豚毒素抗性钠电流和河豚毒素敏感钠电流也有抑制效果，其IC50值分别为27.6 nM和30.2 nM[1]。

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1

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