CAS No. 1629654-95-0

Batch: Purity:99.87
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PD-1/PD-L1 Inhibitor 3 Chemical Structure
Chemical Structure
Check the PD-1/PD-L1 Inhibitor 3 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CAS Number 1629654-95-0
Molecular Formula

C89H126N24O18S
Molecular Weight (MW) 1852.17
SMILES CCCCC1C(=O)NC(C(=O)NC(CSCC(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1C)CCCC)C)CC3=CNC4=CC=CC=C43)CO)CC5=CNC6=CC=CC=C65)C)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CC=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N
InChIKey XAUDCIZFSQEZFS-UHFFFAOYSA-N

Ordering Information

Biological Activity

PD-1/PD-L1 Inhibitor 3 is a macrocyclic inhibitor targeting the programmed cell death-1/programmed cell death-ligand 1 (PD-1/PD-L1) interaction. Blockade of this checkpoint axis disrupts immunosuppressive signaling, leading to restored T-cell receptor activity and enhanced downstream T-cell proliferation and cytokine secretion. Consequently, inhibition of the PD-1/PD-L1 pathway reactivates anti-tumor immune responses and promotes immune-mediated clearance of target cells. [1]

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
Water 100 mg/mL
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.