Name: BB-Cl-Yne
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214321243
Cas No:2219324-71-5
常用名:BB-Cl-Yne
IUPAC:N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-4-(2-chloroethanimidamido)butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
IUPAC:N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-4-(2-chloroethanimidamido)butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
InChI key:RBCGEWKNPOWJEI-VWLOTQADSA-N

分子式:C28H26ClN5O
分子量:484
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:ClCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccc(cc1)C#C)c1nc2ccccc2[nH]1
SMILES:ClCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccc(cc1)C#C)c1nc2ccccc2[nH]1

BB-Cl-Yne is a cell-permeable derivative of the protein arginine deiminase (PAD) inhibitor BB-Cl-amidine that contains an alkyne moiety for use in click chemistry reactions. BB-CL-Yne inhibits PAD1-4 with Kinact/KI values of 6,400, 3,600, 10,800, and 4,900 M-1min-1, respectively. It has been used for labeling PADs in cell-free and cell-based assays, followed by click reactions with azide-modified TAMRA or biotin reporters.

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