Name: OM99-2 TFA
Rating: 5 (10 reviews)

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HIT ID:HIT214323552
Cas No:2504147-81-1
常用名:OM99-2 TFA
别名:OM99-2 TFA
IUPAC:(4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid; trifluoroacetic acid
IUPAC:(4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid; trifluoroacetic acid
InChI key:QNFHSZQWASRNKN-FKEOXSBFSA-N

分子式:C43H65F3N8O16
分子量:1007.028
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

OM99-2 TFA is an eight-residue peptidomimetic compound, functioning as a tight-binding inhibitor of human brain memapsin 2. It exhibits a high affinity for the target with a Ki value of 9.58 nM, making it a promising candidate in the development of BACE1 inhibitors. Due to its potential, OM99-2 presents opportunities for further research in the field of Alzheimer's disease.

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