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Chemical structure of NP-12

GC36767

NP-12

Also known as (4S)-4-[[(2S)-2-[[(2S)-2-[2-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(4S,7R)-7-[[(2S)-1-[(2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-hydrazinylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-5,6-dioxooctan-4-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

NP-12 (NP-12) is a peptide antagonist of the PD-1 signaling pathway, displays equipotent antagonism toward PD-L1 and PD-L2 in rescue of lymphocyte proliferation and effector functions· NP-12 exhibits immune activation, excellent antitumor activity, and potential for better management of immune-related adverse events (irAEs)

ChemicalCAS1353563-85-5MW3261.55FormulaC142H226N40O48
CAS number
1353563-85-5
Molecular weight
3261.55
Formula
C142H226N40O48
Solubility
Water： soluble
InChIKey
YQYGGOPUTPQHAY-KIQLFZLRSA-N
Catalogue number
GC36767
Brand
GLPBIO
Computed properties PubChem CID 131709240 · XLogP -22.8 · TPSA 1470 Ų · H-bond donors 51
XLogP
-22.8
TPSA
1470 Ų
H-bond donors
51
H-bond acceptors
56
Rotatable bonds
115
Heavy atoms
230

SMILES CC[C@@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(CCCCNN[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C=O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NN

Computed descriptors from PubChem (CID 131709240), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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