Name: Ac-Ile-Glu-Thr-Asp-pNA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212876078
Cas No:219138-21-3
常用名:Ac-Ile-Glu-Thr-Asp-pNA
IUPAC:(4S)-4-{[(1S,2R)-1-{[(1S)-2-carboxy-1-[(4-nitrophenyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S,2R)-1-{[(1S)-2-carboxy-1-[(4-nitrophenyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
InChI key:FHURKTIGZAIQGR-BQCLNCLCSA-N

分子式:C27H38N6O12
分子量:638.631
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:-1.2883693
SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O

Ac-Ile-Glu-Thr-Asp-pNA is a caspase-8 substrate that undergoes enzymatic binding and cleavage specifically at the Ile-Glu-Thr-Asp (IETD) peptide sequence. This cleavage results in the release of p-nitroalinide, which can be quantitatively measured using colorimetric detection at 405 nm. This measure serves as an indicator of caspase-8 enzyme activity.

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