Name: Apamin acetate
Rating: 5 (10 reviews)

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HIT ID:HIT215519242
Cas No:
常用名:Apamin acetate
别名:蜂毒明肽醋酸盐, Apamine acetate, Apamin acetate(24345-16-2 Free base)
别名:蜂毒明肽醋酸盐, Apamine acetate, Apamin acetate(24345-16-2 Free base)
IUPAC:3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-4-(4-aminobutyl)-34,37-bis(3-carbamimidamidopropyl)-40-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-47-(carbamoylmethyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecaazatricyclo[26.16.10.0^{9,13}]tetrapentacontan-16-yl]propanoic acid; acetic acid
IUPAC:3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-4-(4-aminobutyl)-34,37-bis(3-carbamimidamidopropyl)-40-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-47-(carbamoylmethyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecaazatricyclo[26.16.10.0^{9,13}]tetrapentacontan-16-yl]propanoic acid; acetic acid
InChI key:IYOQIBXQAOZUEF-RRDNKSJASA-N

分子式:C81H135N31O26S4
分子量:2087.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O

Apamin acetate (Apamine acetate) 是一种具有选择性的 Ca2+ 激活的 K+ (SK) 通道的阻断剂，是在蜂毒素中发现的一种 18 个氨基酸的肽类神经毒素。Apamin acetate 可增强皮质神经元撕裂损伤后的神经突生长和再生。Apamin acetate 具有抗炎和抗纤维化的作用。

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