(S)-TXNIP-IN-1 is the less active S-enantiomer of TXNIP-IN-1. TXNIP-IN-1 is a TXNIP-TRX complex inhibitor that can be used for research on TXNIP-TRX complex-related metabolic disorders (diabetes), cardiovascular diseases, or inflammatory diseases.

Physicochemical Properties

Molecular Formula	C₁₂H₁₂N₂O₄
Molecular Weight	248.23
Exact Mass	248.079
CAS #	1212421-96-9
Related CAS #	TXNIP-IN-1;1268955-50-5
PubChem CID	28284192
Appearance	White to yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	443.5±25.0 °C at 760 mmHg
Flash Point	222.0±23.2 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.602
LogP	0.93
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Complexity	394
Defined Atom Stereocenter Count	1
SMILES	OC([C@H](C(C)C)N1C(C2C=NC=CC=2C1=O)=O)=O
InChi Key	KTDYLXVLROCGRL-VIFPVBQESA-N
InChi Code	InChI=1S/C12H12N2O4/c1-6(2)9(12(17)18)14-10(15)7-3-4-13-5-8(7)11(14)16/h3-6,9H,1-2H3,(H,17,18)/t9-/m0/s1
Chemical Name	(2S)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
Synonyms	(S)TXNIPIN1; (S) TXNIP IN 1
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Txnip-trx complex inhibitors and methods of using the same. US20200085800A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~402.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.0285 mL	20.1426 mL	40.2852 mL
	5 mM	0.8057 mL	4.0285 mL	8.0570 mL
	10 mM	0.4029 mL	2.0143 mL	4.0285 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.