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Chemical structure of Ac-Ile-Glu-Pro-Asp-pNA

GA20580

Ac-Ile-Glu-Pro-Asp-pNA

Also known as (4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[(2S)-2-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Ac-Ile-Glu-Pro-Asp-pNA (Ac-IEPD-pNA) is a colorimetric substrate for granzyme B (GzmB) and caspase-8· Granzyme B and caspase-8 preferentially bind and cleave the Ile-Glu-Pro-Asp (IEPD) peptide sequence, and the catalytic activity of the enzyme is indirectly measured by detecting the release of p-nitroaniline (pNA), which is measured by the optical density (OD) at 405 nm

ChemicalCAS216757-29-8MW634.64FormulaC28H38N6O11
CAS number
216757-29-8
Molecular weight
634.64
Formula
C28H38N6O11
Solubility
Soluble in DMSO
InChIKey
YXEIIOVAGGAMCZ-NYMCBPKFSA-N
Catalogue number
GA20580
Brand
GLPBIO
Computed properties PubChem CID 2826717 · XLogP 0.2 · TPSA 257 Ų · H-bond donors 6
XLogP
0.2
TPSA
257 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
15
Heavy atoms
45

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

Computed descriptors from PubChem (CID 2826717), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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