2D Structure
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2D chemical structural formula diagram.

3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.

Check the APTSTAT3-9R product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 5-[[4-amino-1-[[2-[[6-amino-1-[[1-[[1-[[1-[[6-amino-1-[[2-[[1-[[1-[[5-amino-1-[[1-[[1-[[6-amino-1-[[2-[[2-[[2-[[2-[[1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[(4-carbamimidamido-1-carboxybutyl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[5-amino-2-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
CAS Number no CAS
Molecular Formula

C223H330N80O51
Molecular Weight (MW) 4947.51
SMILES CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC3=C[NH]C4=CC=CC=C34)NC(=O)C(NC(=O)C(CC5=C[NH]C6=CC=CC=C56)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC7=C[NH]C8=CC=CC=C78)NC(=O)C(NC(=O)C(CC9=C[NH]C%10=CC=CC=C9%10)NC(=O)C(CO)NC(=O)CNC(=O)C%11CCCN%11C(=O)C(CC%12=C[NH]C%13=CC=CC=C%12%13)NC(=O)C(CCC(N)=O)NC(=O)C(CC%14=CC=CC=C%14)NC(=O)CNC(=O)C(N)CC%15=C[NH]C=N%15)C(C)O)C(C)O)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(O)=O
InChIKey DSGGVPGAEGYDOM-UHFFFAOYSA-N

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.