SMILES:

CC(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(=O)C2=NC3=C(S2)C=CC=C3
MM3122 Chemical Structure
Chemical Structure
Check the MM3122 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name (2S)-2-[(2-acetamidoacetyl)amino]-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
CAS Number 2574390-27-3
Molecular Formula

C31H39N9O6S
Molecular Weight (MW) 665.74
SMILES CC(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(=O)C2=NC3=C(S2)C=CC=C3
InChIKey ZEPMYXYJCBQSLH-VABKMULXSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 100 mg/mL (150.2 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water 13 mg/mL
Ethanol Insoluble
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.