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 Theliatinib (HMPL-309) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name (3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CAS Number 1353644-70-8
Molecular Formula

C25H26N6O2
Molecular Weight (MW) 442.51
SMILES COC1=C(NC(=O)N2CC3CCN(C)C3C2)C=C4C(=NC=NC4=C1)NC5=CC(=CC=C5)C#C
InChIKey FSXCKIBROURMFT-VGSWGCGISA-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 47 mg/mL (106.21 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
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.