Physicochemical Properties
| Molecular Formula | C11H14N3NA4O15P3 |
| Molecular Weight | 613.120329380035 |
| Exact Mass | 612.922 |
| CAS # | 2803886-33-9 |
| Related CAS # | N4-Acetylcytidine triphosphate;1428903-57-4 |
| PubChem CID | 146673014 |
| Appearance | White to yellow solid powder |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 36 |
| Complexity | 980 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)NC(C)=O)=O)O1)O)O.[Na+].[Na+].[Na+].[Na+] |
| InChi Key | VSBLTNBKSQTQJC-XGZYCNACSA-J |
| InChi Code | InChI=1S/C11H18N3O15P3.4Na/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,6,8-10,16-17H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H,12,13,15,18);;;;/q;4*+1/p-4/t6-,8-,9-,10-;;;;/m1..../s1 |
| Chemical Name | tetrasodium;[[[(2R,3S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
| 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). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.(3). 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 | N4-Acetylcytidine triphosphate sodium (0.1-2 mM; 24-48 h) suppresses BV2 microglia development [1]. N4-Acetylcytidine triphosphate sodium (0.3–1 mM; 3–6 h) increases the expression of NLRP3 and initiates NFκB signaling [1]. HMGB1 expression is elevated by N4-acetylcytidine triphosphate sodium (0.3–1 mM; 3 h) [1]. (br> |
| Cell Assay |
Cell Viability Assay[1] Cell Types: BV2 microglia Tested Concentrations: 0.1-2 mM Incubation Duration: 24-48 hrs (hours) Experimental Results: Dramatically inhibited BV2 microglia cell growth util cultured for 48 hrs (hours) with a concentration of 0.3 mM. Cell Viability Assay [1] Cell Types: BV2 microglia Tested Concentrations: 0.3 and 1 mM Incubation Duration: 3 and 6 hrs (hours) Experimental Results: Increased NLRP3 and NFκB expression at both mRNA and protein levels, activated the NFκB signaling. Western Blot Analysis[1] Cell Types: BV2 microglia Tested Concentrations: 0.3 and 1 mM Incubation Duration: 3 hrs (hours) Experimental Results: Induced HMGB1 expression and it is necessary for NFkB signaling, NLRP3 expression and persistent HMGB1 expression. |
| References |
[1]. Profiling Cytidine Acetylation with Specific Affinity and Reactivity. ACS Chem Biol. 2017 Dec 15;12(12):2922-2926. |
Solubility Data
| Solubility (In Vitro) | H2O :~100 mg/mL (~163.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (40.78 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with heating and sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6310 mL | 8.1550 mL | 16.3100 mL | |
| 5 mM | 0.3262 mL | 1.6310 mL | 3.2620 mL | |
| 10 mM | 0.1631 mL | 0.8155 mL | 1.6310 mL |