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 SAG (Smoothened Agonist) Hydrochloride product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;hydrochloride
CAS Number 2095432-58-7
Molecular Formula

C28H29Cl2N3OS
Molecular Weight (MW) 526.52
SMILES CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl
InChIKey CRWTYWYPPITOOZ-UHFFFAOYSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
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🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 82 mg/mL (155.73 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water 50 mg/mL
Ethanol 27 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).

Aliquotting Service

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Pre-aliquoted for Longevity: Solid-state aliquots offer significantly longer shelf life compared to stock solutions, ensuring maximum stability for every use.

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