Name: Calpain-1 substrate, fluorogenic
Rating: 5 (10 reviews)

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HIT ID:HIT218847681
Cas No:636566-40-0
常用名:Calpain-1 substrate, fluorogenic
常用名:Calpain-1 substrate, fluorogenic
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-6-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}formamido)hexanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-6-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}formamido)hexanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanoic acid
InChI key:UHKSZTUWDADIDK-HOFSYNJXSA-N

分子式:C79H95N13O19S2
分子量:1594.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(O)=O
SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(O)=O

Calpain-1 substrate, fluorogenic, is a sensitive and specific substrate for calpain-1 that cleaves the Tyr-Gly bond, resulting in enhanced fluorescence [1] (Ex/Em = 490 nm/518 nm).

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