Olitigaltin (TD139) Chemical Structure (2D and 3D)

2D Structure

loading...

2D chemical structural formula diagram.

3D Structure

loading...

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

Check the Olitigaltin (TD139) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	(2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CAS Number	1450824-22-2
Molecular Formula	C₂₈H₃₀F₂N₆O₈S
Molecular Weight (MW)	648.64
SMILES	C1=CC(=CC(=C1)F)C2=CN(N=N2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)N5C=C(N=N5)C6=CC(=CC=C6)F)O)CO)O
InChIKey	YGIDGBAHDZEYMT-MQFIMZJJSA-N

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
DMSO	100 mg/mL (154.16 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
Ethanol	Insoluble
DMSO	100 mg/mL (154.16 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
Ethanol	Insoluble
DMSO	100 mg/mL (154.16 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
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?