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HIT218851603
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HIT218851603
  • HIT ID:HIT218851603
  • Cas No:1676104-75-8
  • 常用名:Hepcidin-1 (mouse)
  • IUPAC:(2S,3R)-2-[(2S)-6-amino-2-{[(1R,4R,7S,10S,13R,18R,21R,24S,30R,33S,36S,39S,42S,45R,50R,53S)-13-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-53-(4-aminobutyl)-7-benzyl-10,24-bis[(2S)-butan-2-yl]-33-(2-carbamoylethyl)-39,42-bis(carbamoylmethyl)-36-(hydroxymethyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,52,55,60-hexadecaoxo-15,16,47,48,57,58,63,64-octathia-2,5,8,11,19,22,25,28,31,34,37,40,43,51,54,61-hexadecaazatetracyclo[28.25.4.4^{4,21}.2^{45,50}]pentahexacontan-18-yl]formamido}hexanamido]-3-hydroxybutanoic acid
    IUPAC:(2S,3R)-2-[(2S)-6-amino-2-{[(1R,4R,7S,10S,13R,18R,21R,24S,30R,33S,36S,39S,42S,45R,50R,53S)-13-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-53-(4-aminobutyl)-7-benzyl-10,24-bis[(2S)-butan-2-yl]-33-(2-carbamoylethyl)-39,42-bis(carbamoylmethyl)-36-(hydroxymethyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,52,55,60-hexadecaoxo-15,16,47,48,57,58,63,64-octathia-2,5,8,11,19,22,25,28,31,34,37,40,43,51,54,61-hexadecaazatetracyclo[28.25.4.4^{4,21}.2^{45,50}]pentahexacontan-18-yl]formamido}hexanamido]-3-hydroxybutanoic acid
  • InChI key:KGTITKJUTWIGEA-YGTIFLEASA-N
  • 分子式:C111H169N31O35S8
  • 分子量:2754.24
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@]1([H])CSSC[C@]([H])(NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N2
    SMILES:[H][C@]12CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@]1([H])CSSC[C@]([H])(NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N2
  • Hepcidin-1 (mouse) 是调控铁平衡的内源性多肽激素,通过上调TRAP、组织蛋白酶K和MMP-9的mRNA水平及增强TRAP-5b蛋白的分泌作用。此外,Hepcidin-1 (mouse) 降低FPN1蛋白水平并提升细胞内铁含量,且促进破骨细胞的分化。
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