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Chemical structure of Benpyrine

GC62451

Benpyrine

Also known as (4S)-1-benzyl-4-(7H-purin-6-ylamino)pyrrolidin-2-one

Benpyrine is a highly specific and orally active TNF-α inhibitor with a KD value of 82·1 μM

ChemicalCAS2550398-89-3MW308.34FormulaC16H16N6O
CAS number
2550398-89-3
Molecular weight
308.34
Formula
C16H16N6O
InChIKey
HUWOMAVUXTXEKT-LBPRGKRZSA-N
Catalogue number
GC62451
Brand
GLPBIO
Computed properties PubChem CID 95327594 · XLogP 1.2 · TPSA 86.8 Ų · H-bond donors 2
XLogP
1.2
TPSA
86.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

SMILES C1[C@@H](CN(C1=O)CC2=CC=CC=C2)NC3=NC=NC4=C3NC=N4

Computed descriptors from PubChem (CID 95327594), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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