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HIT220772422
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HIT220772422
  • HIT ID:HIT220772422
  • Cas No:206536-96-1
  • 常用名:FNIII14
  • IUPAC:(4S)-4-[(2S)-2-{2-[(2S,3R)-2-[(2S,3S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]propanamido]-3-hydroxybutanamido]-3-methylpentanamido]-3-hydroxybutanamido]acetamido}-4-methylpentanamido]-5-[(2S)-2-[({[(1S,2R)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
    IUPAC:(4S)-4-[(2S)-2-{2-[(2S,3R)-2-[(2S,3S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]propanamido]-3-hydroxybutanamido]-3-methylpentanamido]-3-hydroxybutanamido]acetamido}-4-methylpentanamido]-5-[(2S)-2-[({[(1S,2R)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
  • InChI key:InChIKey=QDLZSLWZRSJFBC-BSMRXANBSA-N
  • 分子式:C103H163N21O35
  • 分子量:2255.549
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O
  • FNIII14 来源于纤连蛋白 (FN) 分子的第 14 个 III 型样 (FN-III) 重复序列。它能够抑制细胞与细胞外基质 (ECM) 的粘附,诱导 β1-整合素 (β1integrin) 从活性状态转变为非活性状态,并阻止整合素介导的信号传导。FNIII14 具备抗纤维化和抗癌的特性,可应用于代谢性疾病、器官纤维化及恶性肿瘤的研究。
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