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Chemical structure of (Ile⁷⁶)-TNF-α (70-80) (human)

GA20226

(Ile⁷⁶)-TNF-α (70-80) (human)

Also known as (2S,3S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanoyl]amino]-3-methylpentanoic acid

The peptide PSTHVLITHTI corresponds to residues 70-80 of human TNF-α substituted with Ile at position 76 and exhibits many of the biological activities found for TNF-α· (Ile??)-TNF-α (70-80) has been shown to enhance human polymorphonuclear-mediated killing of Plasmodium falciparum in vitro and to reduce Plasmodium chabaudi parasitemia in mice· However, in vivo toxicity studies showed that (Ile??)-TNF-α (70-80) does not possess the typical toxic effects of TNF

ChemicalCAS163045-82-7MW1218.42FormulaC55H91N15O16
CAS number
163045-82-7
Molecular weight
1218.42
Formula
C55H91N15O16
Solubility
Soluble in DMSO
InChIKey
YLTBKQATWOTMIY-DJXVHYNQSA-N
Catalogue number
GA20226
Brand
GLPBIO
Computed properties PubChem CID 131698043 · XLogP -3.3 · TPSA 479 Ų · H-bond donors 18
XLogP
-3.3
TPSA
479 Ų
H-bond donors
18
H-bond acceptors
19
Rotatable bonds
36
Heavy atoms
86

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3

Computed descriptors from PubChem (CID 131698043), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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