 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C11H14FN2O6PS |
| Molecular Weight | 352.2758 |
| Exact Mass | 352.029 |
| CAS # | 1374663-29-2 |
| PubChem CID | 146014460 |
| Appearance | White to light yellow solid powder |
| LogP | -0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 22 |
| Complexity | 472 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | S=P([O-])(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@@]([H])([C@]([H])([N+]2=C([H])C([H])=C([H])C(C(N([H])[H])=O)=C2[H])O1)F)O[H] |
| InChi Key | SIQYQBAPGWSZQF-PKIKSRDPSA-N |
| InChi Code | InChI=1S/C11H14FN2O6PS/c12-8-9(15)7(5-19-21(17,18)22)20-11(8)14-3-1-2-6(4-14)10(13)16/h1-4,7-9,11,15H,5H2,(H3-,13,16,17,18,22)/t7-,8+,9-,11-/m1/s1 |
| Chemical Name | 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxamide |
| 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: (1). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.(2). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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
| ln Vitro | In the Toll-like receptor pathway, sterile alpha and Toll/interleukin-1 receptor motif-containing 1 (SARM1) is an adapter protein. SARM1 is activated by sulfo-ara-F-NMN, which results in the production of cyclic ADP-ribose and non-apoptotic cell death [1]. |
| References |
[1]. A Cell-Permeant Mimetic of NMN Activates SARM1 to Produce Cyclic ADP-Ribose and Induce Non-apoptotic Cell Death. iScience. 2019 May 31;15:452-466. |
Solubility Data
| Solubility (In Vitro) |
H2O: ≥ 100 mg/mL (283.87 mM) DMSO: 100 mg/mL (283.87 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (14.19 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 50.0 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: ≥ 5 mg/mL (14.19 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 50.0 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: ≥ 5 mg/mL (14.19 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 50.0 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 | 2.8387 mL | 14.1933 mL | 28.3865 mL | |
| 5 mM | 0.5677 mL | 2.8387 mL | 5.6773 mL | |
| 10 mM | 0.2839 mL | 1.4193 mL | 2.8387 mL |