Name: Benpyrine
Rating: 5 (10 reviews)

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HIT ID:HIT213707283
Cas No:2550398-89-3
常用名:Benpyrine
IUPAC:(4S)-1-benzyl-4-[(7H-purin-6-yl)amino]pyrrolidin-2-one
IUPAC:(4S)-1-benzyl-4-[(7H-purin-6-yl)amino]pyrrolidin-2-one
InChI key:HUWOMAVUXTXEKT-LBPRGKRZSA-N

分子式:C16H16N6O
分子量:308.345
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.249
SMILES:O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2nc[nH]c12
SMILES:O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2nc[nH]c12

Benpyrine is a highly specific and orally active TNF-α inhibitor with a KD value of 82.1 μM. Benpyrine tightly binds to TNF-α and blocks its interaction with TNFR1, with an IC50 value of 0.109 μM. Benpyrine has the potential for TNF-α mediated inflammatory and autoimmune disease research[1].

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