Physicochemical Properties
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.2670 |
| Exact Mass | 260.046 |
| CAS # | 13957-31-8 |
| PubChem CID | 3032615 |
| Appearance | White to yellow solid powder |
| Density | 1.7±0.1 g/cm3 |
| Melting Point | 139-140℃ (ethanol ) |
| Index of Refraction | 1.733 |
| LogP | -0.21 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 17 |
| Complexity | 374 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| InChi Key | ZLOIGESWDJYCTF-XVFCMESISA-N |
| InChi Code | InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)/t4-,6-,7-,8-/m1/s1 |
| Chemical Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one |
| 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 |
| 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 | 4-Thiouridine (0–10 μM) labels and suppresses emerging rRNA without moderating rRNA synthesis in a substantial way [1]. 4-Thiouridine (≥50 μM) significantly suppresses the synthesis and processing of rRNA [1]. |
| References |
[1]. 4-thiouridine inhibits rRNA synthesis and causes a nucleolar stress response. RNA Biol. 2013 Oct;10(10):1623-30. |
| Additional Infomation |
4-thiouridine is a thiouridine in which the oxygen replaced by sulfur is that at C-4. It has a role as an affinity label and an antimetabolite. It is a thiouridine and a nucleoside analogue. 4-Thiouridine has been reported in Streptomyces libani with data available. A photoactivable URIDINE analog that is used as an affinity label. |
Solubility Data
| Solubility (In Vitro) |
H2O : ≥ 100 mg/mL (~384.22 mM) DMSO : ~100 mg/mL (~384.22 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.61 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 (9.61 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8422 mL | 19.2108 mL | 38.4216 mL | |
| 5 mM | 0.7684 mL | 3.8422 mL | 7.6843 mL | |
| 10 mM | 0.3842 mL | 1.9211 mL | 3.8422 mL |